1PD5

crystal structure of e.coli chloramphenicol acetyltransferase type i at 2.5 angstrom resolution

• Total interactions analyzed: 66
• Total true interactions: 21
• Strongest Interaction:
  • Chains: G-I
  • Int. Res.: 108
  • Norm. En. per Res.: -3.8874
• Hub Node: B(5)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-114.3454	1.8886	-286.501	-398.9579	107	19	5	11066	0	19	13
A-C	-113.4412	-0.0943	-301.295	-414.8305	108	18	8	11395	2	18	13
A-J	0.0	0.0	-0.1313	-0.1313	4	0	0	50	0	0	1
A-L	-16.5694	-36.3451	-73.275	-126.1896	40	3	0	3023	0	25	12
B-C	-117.4966	12.1222	-317.94	-423.3143	112	21	7	11476	1	19	13
B-D	0.0	-7.7437	-5.3885	-13.1323	15	0	0	481	0	10	9
B-F	0.0	0.0	-0.0008	-0.0008	2	0	0	2	0	0	0
B-I	-37.4678	3.1479	-85.6452	-119.965	32	3	2	3102	0	14	9
B-J	0.0	5.3875	-0.0147	5.3727	4	0	0	3	0	3	5
D-E	-81.2874	12.8139	-308.462	-376.9355	113	18	8	11399	1	18	13
D-F	-115.6692	23.8241	-312.065	-403.9101	107	28	7	11130	1	20	13
D-J	-26.1418	-0.4306	-138.688	-165.2604	100	10	0	6842	3	60	46
D-L	0.0	0.0	-0.0675	-0.0675	5	0	0	19	0	0	1
E-F	-107.5877	14.2859	-319.106	-412.4077	112	21	8	11397	2	17	13
F-J	0.0	0.0	-9.7927	-9.7927	11	1	0	376	0	0	1
G-H	-115.249	22.9072	-310.941	-403.2829	111	22	6	11269	2	18	13
G-I	-108.3298	-3.1623	-308.35	-419.8422	108	27	7	11564	2	19	13
H-I	-97.2096	12.2505	-312.734	-397.6931	109	17	7	11146	1	18	14
J-K	-84.776	26.0241	-277.051	-335.8029	112	30	6	11408	2	19	14
J-L	-126.7976	11.5381	-308.684	-423.9434	112	34	6	11775	3	19	13
K-L	-101.8859	15.155	-302.254	-388.9849	119	21	7	11491	3	20	13

Interface residues

• A-B: ALA132A, ALA147A, ALA161A, ALA161B, ALA188B, ALA24B, ALA29B, ARG18B, ARG203B, ASN148A, ASN159A, ASN159B, ASN162A, ASN162B, ASN206B, ASN34A, ASN34B, ASP157A, ASP157B, ASP164B, ASP197B, CYS196B, CYS31B, GLN179A, GLN179B, GLN190A, GLN190B, GLN30B, GLN35B, GLN38A, GLN38B, GLN98A, GLU100A, GLU207B, GLU20B, GLU23B, GLU72B, GLU97A, GLY174A, GLY198B, GLY202B, HIS17B, HIS192B, HIS193B, HIS200B, HIS21B, HIS96A, ILE189B, LEU131A, LEU158A, LEU158B, LEU187B, LEU205B, LYS175A, LYS19B, MET163A, MET163B, MET204B, PHE102A, PHE134A, PHE138A, PHE153A, PHE153B, PHE156A, PHE156B, PHE166A, PHE199B, PHE22B, PHE25B, PHE95A, PRO135A, PRO149A, PRO186A, PRO186B, SER103A, SER104A, SER146A, SER152A, SER155A, SER155B, SER27B, THR101A, THR154A, THR154B, THR172A, THR178A, THR32A, THR32B, THR36A, THR36B, THR93A, THR99A, TRP150A, TRP16B, TYR133A, TYR177A, TYR177B, TYR33B, VAL151A, VAL160A, VAL160B, VAL170A, VAL191B, VAL201B, VAL28B, VAL37B, VAL94A
• A-C: ALA132C, ALA147C, ALA161A, ALA161C, ALA188A, ALA24A, ALA29A, ARG18A, ARG203A, ASN130C, ASN148C, ASN159A, ASN159C, ASN162A, ASN162C, ASN206A, ASN34A, ASN34C, ASP157A, ASP157C, ASP164A, ASP197A, CYS196A, CYS31A, GLN179A, GLN179C, GLN190A, GLN30A, GLN35A, GLN38A, GLN38C, GLN98C, GLU100C, GLU207A, GLU20A, GLU23A, GLU72A, GLU97C, GLY174C, GLY180C, GLY198A, GLY202A, HIS17A, HIS192A, HIS193A, HIS200A, HIS21A, HIS96C, ILE189A, LEU131C, LEU158A, LEU158C, LEU187A, LEU205A, LYS175C, LYS182A, LYS19A, MET163A, MET163C, MET204A, PHE102C, PHE134C, PHE138C, PHE153A, PHE153C, PHE156A, PHE156C, PHE166C, PHE199A, PHE22A, PHE25A, PHE95C, PRO135C, PRO149C, PRO186A, PRO186C, SER103C, SER104C, SER146C, SER152C, SER155A, SER155C, SER27A, THR101C, THR154A, THR154C, THR172C, THR178C, THR32A, THR32C, THR36A, THR36C, THR93C, THR99C, TRP150C, TRP16A, TYR133C, TYR177A, TYR177C, TYR33A, VAL151C, VAL160A, VAL160C, VAL191A, VAL201A, VAL28A, VAL37A, VAL94C
• A-J: LYS49A, LYS52A, SER27J, VAL28J
• A-L: ALA76L, ARG114A, ASN162L, ASN165L, ASN51A, ASP164L, ASP79L, GLN26L, GLN30L, GLU140L, GLU81L, GLY217A, GLY218A, GLY80L, HIS118A, HIS53A, ILE13L, LEU117A, LEU82L, LYS46A, LYS49A, LYS50A, LYS52A, LYS54A, LYS78L, MET163L, MET77L, PHE113A, PHE138L, PHE166L, PHE167L, PRO57A, SER121A, SER27L, THR10L, THR47A, TRP85L, TYR120A, TYR8L, VAL48A
• B-C: ALA132B, ALA147B, ALA161B, ALA161C, ALA188C, ALA24C, ALA29C, ARG18C, ARG203C, ASN148B, ASN159B, ASN159C, ASN162B, ASN162C, ASN206C, ASN34B, ASN34C, ASP157B, ASP157C, ASP164B, ASP164C, ASP197C, CYS196C, CYS31C, GLN179B, GLN179C, GLN190C, GLN209C, GLN26C, GLN30C, GLN35B, GLN35C, GLN38B, GLN38C, GLN98B, GLU100B, GLU207C, GLU20C, GLU23C, GLU72C, GLU97B, GLY174B, GLY180B, GLY198C, GLY202C, HIS17C, HIS192C, HIS193C, HIS200C, HIS21C, HIS96B, ILE189C, LEU131B, LEU158B, LEU158C, LEU184C, LEU187C, LEU205C, LEU39C, LYS175B, LYS182C, LYS19C, MET163B, MET163C, MET204C, PHE102B, PHE134B, PHE153B, PHE153C, PHE156B, PHE156C, PHE166B, PHE199C, PHE22C, PHE25C, PHE95B, PRO135B, PRO149B, PRO186B, PRO186C, SER103B, SER104B, SER146B, SER152B, SER155B, SER155C, SER27C, THR101B, THR154B, THR154C, THR172B, THR178B, THR32B, THR32C, THR36B, THR36C, THR93B, THR99B, TRP150B, TRP16C, TYR133B, TYR177B, TYR177C, TYR33C, VAL151B, VAL160B, VAL160C, VAL191C, VAL201C, VAL28C, VAL37C, VAL94B
• B-D: ALA24D, ALA43B, ASP181B, ASP213B, GLN15D, GLN216B, GLU20D, GLU23D, ILE13D, LYS19D, LYS46B, LYS50B, SER14D, THR42B, THR47B
• B-F: LYS52B, PHE138F
• B-I: ASP12I, ASP79B, ASP79I, ASP86B, ASP86I, GLU108B, GLU108I, GLU81I, GLY7B, GLY7I, ILE5B, ILE5I, ILE84I, LYS3B, LYS4B, LYS4I, LYS78B, LYS78I, THR10B, THR10I, THR6B, THR6I, THR9B, THR9I, TRP85B, TRP85I, TYR8B, TYR8I, VAL11B, VAL11I, VAL83B, VAL83I
• B-J: ASP181B, ASP79J, GLU214B, SER14J
• D-E: ALA132D, ALA147D, ALA161D, ALA161E, ALA188D, ALA188E, ALA24E, ALA29E, ARG18E, ARG203E, ASN130D, ASN148D, ASN159D, ASN159E, ASN162D, ASN162E, ASN206E, ASN34D, ASN34E, ASP157D, ASP157E, ASP164E, ASP197E, CYS196E, CYS31E, GLN179D, GLN179E, GLN190E, GLN26E, GLN30E, GLN35D, GLN35E, GLN38D, GLN38E, GLN98D, GLU100D, GLU20E, GLU23E, GLU72E, GLU97D, GLY174D, GLY180D, GLY198E, GLY202E, HIS17E, HIS192E, HIS193E, HIS200E, HIS21E, HIS70E, HIS96D, ILE189E, LEU131D, LEU158D, LEU158E, LEU184E, LEU187E, LEU205E, LEU39E, LYS175D, LYS182E, LYS19E, MET163D, MET163E, MET204E, PHE102D, PHE134D, PHE138D, PHE153D, PHE153E, PHE156D, PHE156E, PHE166D, PHE199E, PHE22E, PHE25E, PHE95D, PRO135D, PRO149D, PRO186D, PRO186E, SER103D, SER104D, SER146D, SER152D, SER155D, SER155E, SER27E, THR101D, THR154D, THR154E, THR172D, THR178D, THR32D, THR32E, THR36D, THR36E, THR93D, THR99D, TRP150D, TRP16E, TYR133D, TYR177D, TYR177E, TYR33E, VAL151D, VAL160D, VAL160E, VAL191E, VAL201E, VAL28E, VAL37E, VAL94D
• D-F: ALA132F, ALA147F, ALA161D, ALA161F, ALA188D, ALA24D, ALA29D, ARG18D, ARG203D, ASN130F, ASN148F, ASN159D, ASN159F, ASN162D, ASN162F, ASN206D, ASN34D, ASN34F, ASP157D, ASP157F, ASP164D, ASP197D, CYS196D, CYS31D, GLN179D, GLN179F, GLN190D, GLN30D, GLN35D, GLN38D, GLN38F, GLN98F, GLU100F, GLU20D, GLU23D, GLU72D, GLU97F, GLY174F, GLY198D, GLY202D, HIS17D, HIS192D, HIS193D, HIS200D, HIS21D, HIS96F, ILE189D, LEU131F, LEU158D, LEU158F, LEU187D, LEU205D, LEU39D, LYS175F, LYS182D, LYS19D, MET163D, MET163F, MET204D, PHE102F, PHE134F, PHE138F, PHE153D, PHE153F, PHE156D, PHE156F, PHE166F, PHE199D, PHE22D, PHE25D, PHE95F, PRO135F, PRO149F, PRO186D, PRO186F, SER103F, SER104F, SER146F, SER152F, SER155D, SER155F, SER27D, THR101F, THR154D, THR154F, THR172F, THR178F, THR32D, THR32F, THR36D, THR36F, THR93F, THR99F, TRP150F, TRP16D, TYR133F, TYR177D, TYR177F, TYR33D, VAL151F, VAL160D, VAL160F, VAL191D, VAL201D, VAL28D, VAL37D, VAL94F
• D-J: ALA69D, ALA69J, ARG114D, ARG114J, ARG18D, ARG203D, ARG203J, ARG65D, ARG65J, ARG74D, ARG74J, ASN68D, ASN68J, ASP111D, ASP111J, ASP112D, ASP112J, ASP12D, ASP12J, ASP213D, ASP213J, ASP79D, ASP79J, ASP86D, ASP86J, GLN115D, GLN115J, GLN15D, GLN15J, GLN210D, GLN210J, GLN216D, GLN216J, GLU207D, GLU207J, GLU214D, GLU214J, GLU72D, GLU72J, GLU81D, GLU81J, GLY217D, GLY218D, GLY7D, GLY7J, HIS110D, HIS110J, HIS118J, HIS17D, HIS17J, HIS200D, HIS61D, HIS61J, HIS70D, HIS70J, ILE119J, ILE13D, ILE13J, ILE62D, ILE84D, ILE84J, LEU66D, LEU66J, LEU82D, LEU82J, LYS78D, LYS78J, MET75D, MET75J, PHE113D, PHE113J, PHE116J, PHE199D, PRO71D, PRO71J, SER14D, SER14J, SER87D, SER87J, THR10D, THR10J, THR6J, THR9D, THR9J, TRP16D, TRP16J, TRP215D, TRP215J, TRP85D, TRP85J, TYR109D, TYR109J, TYR211D, TYR211J, TYR8D, TYR8J, VAL11D, VAL11J, VAL83D, VAL83J
• D-L: ASP86D, GLN98L, GLU100L, GLY7D, THR6D
• E-F: ALA132E, ALA147E, ALA161E, ALA161F, ALA188F, ALA24F, ALA29F, ARG18F, ARG203F, ASN130E, ASN148E, ASN159E, ASN159F, ASN162E, ASN162F, ASN206F, ASN34E, ASN34F, ASP157E, ASP157F, ASP164E, ASP164F, ASP197F, CYS196F, CYS31F, GLN179E, GLN179F, GLN190F, GLN209F, GLN30F, GLN35E, GLN35F, GLN38E, GLN38F, GLN98E, GLU100E, GLU207F, GLU20F, GLU23F, GLU72F, GLU97E, GLY174E, GLY180E, GLY198F, GLY202F, HIS17F, HIS192F, HIS193F, HIS200F, HIS21F, HIS70F, HIS96E, ILE189F, LEU131E, LEU158E, LEU158F, LEU184F, LEU187F, LEU205F, LYS175E, LYS19F, MET163E, MET163F, MET204F, PHE102E, PHE134E, PHE138E, PHE144E, PHE153E, PHE153F, PHE156E, PHE156F, PHE166E, PHE199F, PHE22F, PHE25F, PHE95E, PRO135E, PRO149E, PRO186E, PRO186F, SER103E, SER104E, SER146E, SER152E, SER155E, SER155F, SER27F, THR101E, THR154E, THR154F, THR172E, THR32E, THR32F, THR36E, THR36F, THR93E, THR99E, TRP150E, TRP16F, TYR133E, TYR177E, TYR177F, TYR33F, VAL151E, VAL160E, VAL160F, VAL191F, VAL201F, VAL28F, VAL37F, VAL94E
• F-J: ASP86J, GLN98F, GLU100F, GLU97F, GLY7J, HIS96F, PHE95F, THR101F, THR6J, THR99F, TYR8J
• G-H: ALA132G, ALA147G, ALA161G, ALA161H, ALA188H, ALA24H, ALA29H, ARG18H, ARG203H, ASN148G, ASN159G, ASN159H, ASN162G, ASN162H, ASN206H, ASN34G, ASN34H, ASP157G, ASP157H, ASP164H, ASP197H, CYS196H, CYS31H, GLN179G, GLN179H, GLN190H, GLN209H, GLN30H, GLN35G, GLN35H, GLN38G, GLN38H, GLN98G, GLU100G, GLU20H, GLU23H, GLU72H, GLU97G, GLY174G, GLY180G, GLY198H, GLY202H, HIS17H, HIS192H, HIS193H, HIS200H, HIS21H, HIS96G, ILE189H, LEU131G, LEU158G, LEU158H, LEU187H, LEU205H, LEU208H, LEU39H, LYS175G, LYS182H, LYS19H, MET163G, MET163H, MET204H, PHE102G, PHE134G, PHE138G, PHE153G, PHE153H, PHE156G, PHE156H, PHE166G, PHE199H, PHE22H, PHE25H, PHE95G, PRO135G, PRO149G, PRO186G, PRO186H, SER103G, SER104G, SER146G, SER152G, SER155G, SER155H, SER27H, THR101G, THR154G, THR154H, THR172G, THR178G, THR32G, THR32H, THR36G, THR36H, THR93G, THR99G, TRP150G, TRP16H, TYR133G, TYR177G, TYR177H, TYR33H, VAL151G, VAL160G, VAL160H, VAL170G, VAL191H, VAL201H, VAL28H, VAL37H, VAL94G
• G-I: ALA132I, ALA147I, ALA161G, ALA161I, ALA188G, ALA24G, ALA29G, ARG18G, ARG203G, ASN130I, ASN148I, ASN159G, ASN159I, ASN162G, ASN162I, ASN206G, ASN34G, ASN34I, ASP157G, ASP157I, ASP164G, ASP197G, CYS196G, CYS31G, GLN179G, GLN179I, GLN190G, GLN26G, GLN30G, GLN35G, GLN38G, GLN38I, GLN98I, GLU100I, GLU20G, GLU23G, GLU72G, GLU97I, GLY174I, GLY198G, GLY202G, HIS17G, HIS192G, HIS193G, HIS200G, HIS21G, HIS96I, ILE189G, LEU131I, LEU158G, LEU158I, LEU187G, LEU205G, LYS175I, LYS19G, MET163G, MET163I, MET204G, PHE102I, PHE134I, PHE138I, PHE144I, PHE153G, PHE153I, PHE156G, PHE156I, PHE166G, PHE166I, PHE199G, PHE22G, PHE25G, PHE95I, PRO135I, PRO149I, PRO186G, PRO186I, SER103I, SER104I, SER146I, SER152I, SER155G, SER155I, SER27G, THR101I, THR154G, THR154I, THR172I, THR32G, THR32I, THR36G, THR36I, THR93I, THR99I, TRP150I, TRP16G, TYR133I, TYR177G, TYR177I, TYR33G, VAL151I, VAL160G, VAL160I, VAL170I, VAL191G, VAL201G, VAL28G, VAL37G, VAL94I
• H-I: ALA132H, ALA147H, ALA161H, ALA161I, ALA188I, ALA24I, ALA29I, ARG18I, ARG203I, ASN148H, ASN159H, ASN159I, ASN162H, ASN162I, ASN206I, ASN34H, ASN34I, ASP157H, ASP157I, ASP164I, ASP197I, CYS196I, CYS31I, GLN179H, GLN179I, GLN190I, GLN26I, GLN30I, GLN35I, GLN38H, GLN38I, GLN98H, GLU100H, GLU207I, GLU20I, GLU23I, GLU72I, GLU97H, GLY174H, GLY198I, GLY202I, HIS17I, HIS192I, HIS193I, HIS200I, HIS21I, HIS96H, ILE189I, LEU131H, LEU158H, LEU158I, LEU187I, LEU205I, LEU39I, LYS175H, LYS182I, LYS19I, MET163H, MET163I, MET204I, PHE102H, PHE134H, PHE138H, PHE144H, PHE153H, PHE153I, PHE156H, PHE156I, PHE166H, PHE199I, PHE22I, PHE25I, PHE95H, PRO135H, PRO149H, PRO186H, PRO186I, SER103H, SER104H, SER146H, SER152H, SER155H, SER155I, SER27I, THR101H, THR154H, THR154I, THR172H, THR178H, THR32H, THR32I, THR36H, THR36I, THR93H, THR99H, TRP150H, TRP16I, TYR133H, TYR177H, TYR177I, TYR33I, VAL151H, VAL160H, VAL160I, VAL191I, VAL201I, VAL28I, VAL37I, VAL94H
• J-K: ALA132J, ALA147J, ALA161J, ALA161K, ALA188J, ALA188K, ALA24K, ALA29K, ARG18K, ARG203K, ASN130J, ASN148J, ASN159J, ASN159K, ASN162J, ASN162K, ASN206K, ASN34J, ASN34K, ASP157J, ASP157K, ASP164K, ASP197K, CYS196K, CYS31K, GLN179J, GLN179K, GLN190K, GLN26K, GLN30K, GLN35J, GLN35K, GLN38J, GLN38K, GLN98J, GLU100J, GLU207K, GLU20K, GLU23K, GLU72K, GLU97J, GLY174J, GLY198K, GLY202K, HIS17K, HIS192K, HIS193K, HIS200K, HIS21K, HIS96J, ILE189K, LEU131J, LEU158J, LEU158K, LEU184K, LEU187K, LEU205K, LEU39K, LYS175J, LYS19K, MET163J, MET163K, MET204K, PHE102J, PHE134J, PHE138J, PHE144J, PHE153J, PHE153K, PHE156J, PHE156K, PHE166J, PHE199K, PHE22K, PHE25K, PHE95J, PRO135J, PRO149J, PRO186J, PRO186K, SER103J, SER104J, SER146J, SER152J, SER152K, SER155J, SER155K, SER27K, THR101J, THR154J, THR154K, THR172J, THR32J, THR32K, THR36J, THR36K, THR93J, THR99J, TRP150J, TRP16K, TYR133J, TYR177J, TYR177K, TYR33K, VAL151J, VAL160J, VAL160K, VAL191K, VAL201K, VAL28K, VAL37K, VAL94J
• J-L: ALA132L, ALA147L, ALA161J, ALA161L, ALA188J, ALA188L, ALA24J, ALA29J, ARG18J, ARG203J, ASN130L, ASN148L, ASN159J, ASN159L, ASN162J, ASN162L, ASN206J, ASN34J, ASN34L, ASP157J, ASP157L, ASP164J, ASP197J, CYS196J, CYS31J, GLN179J, GLN179L, GLN190J, GLN26J, GLN30J, GLN35J, GLN35L, GLN38J, GLN38L, GLN98L, GLU100L, GLU207J, GLU20J, GLU23J, GLU72J, GLU97L, GLY174L, GLY198J, GLY202J, HIS17J, HIS192J, HIS193J, HIS200J, HIS21J, HIS70J, HIS96L, ILE189J, LEU131L, LEU158J, LEU158L, LEU187J, LEU205J, LEU39J, LYS175L, LYS182J, LYS19J, MET163J, MET163L, MET204J, PHE102L, PHE134L, PHE138L, PHE153J, PHE153L, PHE156J, PHE156L, PHE166L, PHE199J, PHE22J, PHE25J, PHE95L, PRO135L, PRO149L, PRO186J, PRO186L, SER103L, SER104L, SER146L, SER152L, SER155J, SER155L, SER27J, THR101L, THR154J, THR154L, THR172L, THR178L, THR32J, THR32L, THR36J, THR36L, THR93L, THR99L, TRP150L, TRP16J, TYR133L, TYR177J, TYR177L, TYR33J, VAL151L, VAL160J, VAL160L, VAL191J, VAL201J, VAL28J, VAL37J, VAL94L
• K-L: ALA132K, ALA147K, ALA161K, ALA161L, ALA188K, ALA188L, ALA24L, ALA29L, ARG18L, ARG203L, ASN130K, ASN148K, ASN159K, ASN159L, ASN162K, ASN162L, ASN206L, ASN34K, ASN34L, ASP157K, ASP157L, ASP164K, ASP164L, ASP197L, CYS196L, CYS31K, CYS31L, GLN179K, GLN179L, GLN190L, GLN209L, GLN26L, GLN30L, GLN35K, GLN35L, GLN38K, GLN38L, GLN98K, GLU100K, GLU207L, GLU20L, GLU23L, GLU72L, GLU97K, GLY137K, GLY174K, GLY198L, GLY202L, HIS17L, HIS192L, HIS193L, HIS200L, HIS21L, HIS70L, HIS96K, ILE189L, LEU131K, LEU158K, LEU158L, LEU187L, LEU205L, LEU208L, LEU39L, LYS175K, LYS19L, MET163K, MET163L, MET204L, PHE102K, PHE134K, PHE138K, PHE144K, PHE153K, PHE153L, PHE156K, PHE156L, PHE166K, PHE199L, PHE22L, PHE25L, PHE95K, PRO135K, PRO149K, PRO186K, PRO186L, PRO71L, SER103K, SER104K, SER146K, SER152K, SER152L, SER155K, SER155L, SER27L, THR101K, THR154K, THR154L, THR172K, THR32K, THR32L, THR36K, THR36L, THR93K, THR99K, TRP150K, TRP16L, TYR133K, TYR177K, TYR177L, TYR33L, VAL151K, VAL160K, VAL160L, VAL170K, VAL191L, VAL201L, VAL28L, VAL37L, VAL94K