3PIP

crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit

• Total interactions analyzed: 435
• Total true interactions: 30
• Strongest Interaction:
  • Chains: H-M
  • Int. Res.: 87
  • Norm. En. per Res.: -4.3135
• 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
B-G	0.0	0.0	-33.1857	-33.1857	13	2	1	1079	0	0	1
B-H	-11.6357	1.0944	-21.3645	-31.9058	14	1	0	779	0	5	4
B-K	0.0	5.3599	-14.1922	-8.8323	14	0	0	809	0	1	7
B-M	-15.0099	17.3136	-206.359	-204.0552	91	30	8	10437	1	15	24
B-Z	0.0	0.0	-0.0495	-0.0495	2	0	0	12	0	0	1
C-I	-3.4973	-24.1485	-63.9338	-91.5796	38	1	0	2665	1	11	12
C-N	0.0	0.0	-1.5089	-1.5089	12	0	0	295	0	0	2
C-2	0.0	1.0406	-0.1164	0.9242	2	0	0	49	0	0	3
E-4	0.0	0.0	-1.4622	-1.4622	5	0	0	159	0	0	1
F-J	0.0	0.0	-0.0631	-0.0631	4	0	0	23	0	0	1
F-S	0.0	0.0	-18.0919	-18.0919	15	0	0	794	0	1	1
G-N	0.0	-2.1702	-76.9264	-79.0966	42	17	3	4367	0	8	26
G-O	0.0	-2.683	-0.1857	-2.8687	6	0	0	94	0	2	2
G-4	0.0	0.0	-0.1455	-0.1455	3	0	0	26	0	3	1
H-M	-54.7758	-74.6696	-245.831	-375.2764	87	32	2	10834	9	45	44
I-N	0.0	0.0	-0.0332	-0.0332	4	0	0	22	0	0	1
I-O	-12.519	23.827	-23.6015	-12.2935	14	3	0	1121	0	0	7
I-3	-8.8258	20.3875	-108.995	-97.4334	52	47	1	6964	0	4	47
J-S	-5.4569	20.337	-141.922	-127.042	96	13	0	7462	0	41	39
J-T	0.0	0.0	-5.0519	-5.0519	6	0	0	302	0	1	1
J-4	0.0	0.0	-0.6104	-0.6104	5	0	0	102	0	2	6
K-P	-4.8936	-27.361	-8.5755	-40.8301	23	0	0	637	1	3	5
K-Z	0.0	11.3111	-62.151	-50.8398	33	2	3	2951	0	3	9
L-T	0.0	0.0	-2.9089	-2.9089	13	0	0	219	0	0	0
N-O	-15.7882	8.3838	-179.351	-186.7554	96	27	7	8801	0	23	36
N-Z	0.0	3.4898	-6.7968	-3.307	14	0	0	566	0	0	7
P-Z	0.0	28.4205	-104.428	-76.0075	57	9	6	5006	2	16	25
Q-V	-10.2417	-6.3763	-84.8656	-101.4836	41	10	4	4121	0	9	12
T-3	0.0	0.0	-0.0206	-0.0206	3	0	0	15	0	2	1
1-3	0.0	1.8904	-11.3361	-9.4457	21	1	0	897	0	3	6

Interface residues

• B-G: ARG149B, GLN107G, GLN143B, GLY105G, GLY108G, GLY153B, LEU110G, LYS152B, PRO147B, THR104G, TYR106G, TYR151B, VAL150B
• B-H: ALA20B, ALA84H, ARG19B, ARG83H, ASP18B, ASP85H, GLN13B, GLY86H, ILE21B, LYS16B, LYS82H, PRO22B, SER87H, TRP15B
• B-K: ALA191B, ASN192B, GLN114B, GLY110B, GLY112B, GLY4K, HIS159B, HIS3K, LYS109B, LYS111B, LYS118B, LYS5K, MET162B, THR113B
• B-M: ALA191B, ALA20B, ALA52B, ALA55B, ALA84M, ARG14M, ARG176B, ARG19B, ARG22M, ARG40M, ARG57B, ARG63M, ARG76B, ARG79B, ARG9M, ASN17B, ASN180B, ASN192B, ASN8M, ASP18B, ASP19M, GLN13B, GLN18M, GLN2M, GLU11M, GLU174B, GLU179B, GLU17M, GLY10B, GLY10M, GLY15M, GLY190B, GLY193B, GLY194B, GLY29B, GLY61M, GLY6B, HIS20M, HIS4M, ILE14B, ILE16M, ILE175B, ILE182B, ILE21B, ILE5M, ILE77B, ILE7M, ILE9B, LEU12M, LEU13M, LEU181B, LEU183B, LEU195B, LEU27B, LEU5B, LEU87M, LYS16B, LYS54B, LYS58B, LYS64M, LYS6M, LYS8B, MET11B, MET162B, PHE81M, PHE83M, PRO22B, PRO30B, PRO53B, PRO82M, PRO86M, SER60M, SER62M, SER65M, SER85M, THR107B, THR12B, THR21M, THR24B, THR37M, THR3M, THR7B, TRP15B, TYR51B, VAL173B, VAL196B, VAL23B, VAL25B, VAL26B, VAL39M, VAL80M
• B-Z: HIS4Z, LYS132B
• C-I: ARG111C, ARG13I, ARG16I, ARG182C, ARG18I, ARG21I, ASN23C, ASP15I, ASP184C, GLU29C, GLY11I, GLY25C, HIS183C, HIS28C, ILE180C, LEU102C, LEU181C, LEU27C, LEU35C, LEU95C, LYS147C, LYS14I, LYS17I, MET106C, SER110C, SER12I, SER24C, THR32C, TRP33C, TYR178C, TYR91C, TYR93C, VAL177C, VAL19I, VAL26C, VAL30C, VAL31C, VAL99C
• C-N: ALA43C, ALA4N, ARG39C, ARG3N, ARG89C, GLY85C, PRO2N, PRO86C, SER44C, THR42C, THR45C, VAL82C
• C-2: LYS372, LYS53C
• E-4: ALA156E, ASN294, LYS172E, LYS314, VAL304
• F-J: ARG61J, ASN92F, LYS93F, THR90F
• F-S: ALA94F, ARG103S, ARG132F, ASN92F, GLN109S, GLU107S, GLY110S, GLY111S, ILE143S, LYS93F, LYS95F, PRO174S, PRO91F, THR90F, VAL108S
• G-N: ALA100N, ALA67N, ALA69N, ALA96N, ALA99N, ARG101N, ARG59N, ARG63G, ARG64N, ARG67G, ARG70N, ASN66N, ASN73G, ASP56N, ASP69G, ASP97N, GLN63N, GLU102N, GLY64G, GLY68N, HIS66G, ILE33G, ILE62N, ILE65N, ILE98N, LEU60N, LEU71N, LYS30G, LYS65G, PHE106N, PHE57N, PHE70G, PRO103N, PRO34G, PRO68G, PRO72G, SER60G, THR31G, THR71G, TRP61N, TYR32G, VAL94N
• G-O: ARG13O, ASP18O, ILE20O, ILE5O, LYS30G, VAL19O
• G-4: ASP96G, HIS204, LYS93G
• H-M: ALA115H, ALA11H, ALA130H, ALA49M, ALA56M, ALA80H, ALA84H, ALA84M, ALA95H, ARG108M, ARG109H, ARG116H, ARG119H, ARG122H, ARG34M, ARG40M, ARG44M, ARG46M, ARG69M, ARG76H, ARG79M, ARG83H, ARG90H, ARG93H, ASN58M, ASN94H, ASP120H, ASP36M, ASP85H, ASP92H, ASP9H, GLN48M, GLU109M, GLU117H, GLU132H, GLU41M, GLU51M, GLU75M, GLU78M, GLY112H, GLY42M, GLY74M, GLY76M, GLY86H, ILE55M, ILE71M, ILE81H, ILE89H, LEU107M, LEU118H, LEU134H, LEU87M, LYS38M, LYS70M, LYS82H, MET124H, PHE111H, PHE50M, PHE66M, PHE73M, PHE81M, PHE91H, PRO113H, PRO131H, PRO82M, PRO86M, SER65M, SER72M, SER78H, SER85M, SER87H, THR37M, THR45M, THR67M, THR88H, TYR105M, VAL10H, VAL110H, VAL114H, VAL127H, VAL133H, VAL39M, VAL68M, VAL75H, VAL77M, VAL80M, VAL88M
• I-N: ALA30I, ARG13N, ARG32I, PHE36N
• I-O: ARG32I, ARG81O, ARG82O, ARG83O, GLN79O, GLY31I, GLY33I, GLY77O, HIS34I, LYS35I, LYS73O, THR84O, TYR80O, VAL78O
• I-3: ALA103, ALA243, ALA513, ALA533, ALA563, ALA58I, ARG123, ARG133, ARG303, ARG53I, ARG55I, ARG573, ARG59I, ARG63I, ASN66I, GLU50I, GLU543, GLY283, GLY473, GLY51I, GLY52I, GLY64I, HIS313, HIS73, ILE143, ILE163, ILE57I, LEU56I, LEU603, LEU60I, LYS113, LYS153, LYS263, LYS293, LYS443, LYS523, LYS593, LYS62I, LYS83, MET233, MET583, MET93, PHE253, PHE49I, PHE65I, PRO61I, SER273, SER54I, THR63, TRP553, VAL223, VAL493
• J-S: ALA108J, ALA141J, ALA162S, ALA22J, ALA29J, ALA37J, ALA68S, ALA77S, ARG102J, ARG135J, ARG175S, ARG41S, ARG44S, ARG60J, ARG61J, ARG74S, ARG76S, ASN119S, ASP114S, ASP139J, ASP21J, ASP26J, ASP32J, ASP40S, ASP72S, GLN121S, GLN45S, GLN70S, GLU107S, GLU136J, GLU140J, GLU39J, GLY101J, GLY109J, GLY110S, GLY111S, GLY20J, GLY24J, GLY25J, GLY31J, GLY62J, GLY63J, HIS118S, HIS99S, ILE115S, ILE36J, ILE65J, LEU112S, LEU120S, LEU166S, LEU172S, LEU35J, LYS116J, LYS131J, LYS134J, LYS23J, LYS64J, LYS67S, LYS73S, LYS75S, LYS99J, MET132J, MET38J, MET71S, PHE30J, PHE39S, PHE43S, PHE59J, PRO100J, PRO173S, PRO174S, PRO40J, PRO78S, PRO97S, SER47S, SER56J, SER95S, THR130J, THR19J, THR48S, TYR138J, TYR27J, TYR33J, TYR66J, VAL107J, VAL110J, VAL113S, VAL116S, VAL117S, VAL133J, VAL137J, VAL28J, VAL66S, VAL69S, VAL96S, VAL98S
• J-T: ARG14T, ASN12T, GLY13T, GLY87J, LYS86J, PHE14J
• J-4: ARG120J, HIS124J, LEU121J, LYS84, SER64
• K-P: ALA64P, ARG103K, ARG104K, ARG58P, ARG62P, ASP106K, GLU66P, GLY101K, GLY105K, GLY107K, ILE60P, LYS37P, LYS70P, MET33P, PHE59P, PRO61P, PRO67P, SER63P, SER65P, THR102K, THR109K, VAL100K, VAL108K
• K-Z: ALA111K, ARG33K, ARG55Z, ARG96K, ARG99K, ASP53Z, CYS46Z, GLN35K, GLN56Z, GLU114K, GLY101K, GLY50Z, GLY54Z, HIS43Z, HIS44Z, ILE45Z, ILE97K, LEU112K, LEU38K, LEU41Z, LEU58Z, LEU98K, LYS40Z, MET110K, PRO28Z, PRO47Z, SER42Z, THR102K, THR109K, TYR51Z, TYR52Z, VAL100K, VAL57Z
• L-T: ALA22L, ALA23L, ASP45L, GLN49T, GLY48T, GLY50T, LEU62T, LYS46T, SER46L, THR20L, THR21L, VAL17L, VAL51T
• N-O: ALA105N, ALA108N, ALA112N, ALA35N, ALA37O, ALA42N, ALA43N, ALA51O, ALA86N, ARG101N, ARG13N, ARG13O, ARG20N, ARG48N, ARG50N, ARG51N, ARG58N, ARG72O, ARG81O, ARG82O, ARG83O, ARG92N, ASN115N, ASN41N, ASN87N, ASN91N, ASP111N, ASP50O, ASP89N, ASP97N, GLN11O, GLN37N, GLN44O, GLN6O, GLN79O, GLU102N, GLU104N, GLU43O, GLU46N, GLU49O, GLY48O, GLY52O, GLY77O, GLY85O, GLY8O, GLY9O, HIS86O, ILE5O, ILE69O, ILE71O, ILE88N, ILE98N, LEU109N, LEU35O, LEU38O, LEU39N, LEU40N, LEU83N, LEU90N, LEU95N, LYS107N, LYS10O, LYS16N, LYS19N, LYS36O, LYS53N, LYS73O, LYS75O, LYS93N, PHE106N, PHE24N, PHE36N, PHE39O, PHE47O, PHE79N, PRO103N, SER113N, SER76O, THR38N, THR44N, THR45O, THR7O, THR84O, TRP61N, TYR12O, TYR32N, TYR45N, TYR47N, TYR70O, TYR74O, TYR80O, VAL110N, VAL17N, VAL40O, VAL46O, VAL94N
• N-Z: ARG16Z, GLN31N, GLY26N, LYS10Z, LYS13Z, LYS15Z, LYS30N, MET18Z, SER12Z, SER14Z, SER27N, SER29N, THR11Z, TRP25N
• P-Z: ALA24Z, ALA27Z, ALA53P, ALA64P, ARG109P, ARG111P, ARG16Z, ARG19Z, ARG20Z, ARG36P, ARG39P, ARG58P, ARG62P, ASN29Z, ASN48Z, ASP17Z, ASP43P, ASP52P, ASP55P, CYS33Z, CYS46Z, GLN51P, GLU32Z, GLU54P, GLY38Z, HIS22Z, HIS23Z, HIS37Z, HIS44Z, ILE45P, ILE45Z, ILE60P, LEU25Z, LEU30Z, LEU40P, LEU41Z, LEU56P, LEU57P, LYS37P, LYS39Z, LYS3Z, LYS40Z, LYS48P, PHE59P, PRO28Z, PRO47Z, PRO61P, SER113P, SER21Z, SER49P, SER65P, THR26Z, THR31Z, VAL38P, VAL41P, VAL42P, VAL44P
• Q-V: ALA15V, ALA20V, ALA32V, ALA33V, ALA34V, ALA41Q, ALA45Q, ALA9Q, ARG21V, ARG29V, ASP19V, ASP5Q, GLN31V, GLN44Q, GLN8Q, GLN94Q, GLU24V, GLU27V, GLU89Q, GLY35V, HIS3Q, ILE12Q, ILE18V, ILE42Q, ILE6Q, LEU25V, LEU7Q, LEU91Q, LYS22V, LYS23V, MET26V, PHE27Q, PHE30V, PHE46Q, PRO10Q, SER2Q, SER30Q, TRP28Q, TYR4Q, VAL11Q, VAL29Q
• T-3: ARG55T, GLY383, SER373
• 1-3: ALA21, ARG423, ASN333, ASP41, GLY353, GLY383, ILE413, LYS111, LYS261, LYS293, LYS31, LYS363, MET121, SER373, THR231, THR241, THR251, THR343, TYR211, TYR221, VAL431