1TB3

crystal structure analysis of recombinant rat kidney long- chain hydroxy acid oxidase

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 119
  • Norm. En. per Res.: -5.7887
• Hub Node: A(4)

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-C	-106.2453	-181.045	-368.415	-655.7052	117	19	7	15416	14	72	43
A-D	-103.4883	-192.0	-383.798	-679.2863	119	22	7	15840	14	73	43
A-F	-15.4191	0.5799	-84.3071	-99.1463	56	3	0	3570	0	23	23
A-G	0.0	0.0	-0.0041	-0.0041	4	0	0	5	0	0	0
B-C	-98.6807	-175.7239	-358.017	-632.4216	116	18	7	15146	13	69	42
B-D	-106.1062	-194.286	-381.519	-681.9112	118	22	7	15663	14	71	43
B-E	-6.5856	0.5208	-56.4361	-62.5009	50	0	0	2819	0	16	19
B-H	0.0	0.0	-0.0015	-0.0015	4	0	0	4	0	0	0
C-E	0.0	0.0	-0.0014	-0.0014	4	0	0	4	0	0	0
C-G	-13.1789	0.5624	-71.5947	-84.2112	55	0	0	3199	0	18	21
D-F	0.0	0.0	-0.004	-0.004	4	0	0	5	0	0	0
D-H	-13.7452	0.566	-71.5988	-84.778	54	0	0	3221	0	18	21
E-G	-110.7253	-194.5841	-383.549	-688.8583	119	19	7	15586	14	71	43
E-H	-103.1378	-178.3137	-367.31	-648.7615	117	19	7	15291	14	70	43
F-G	-104.9584	-191.9562	-385.584	-682.4986	118	21	7	15754	13	71	43
F-H	-107.9536	-187.9856	-381.871	-677.8102	118	19	7	15554	14	71	43

Interface residues

• A-C: ALA10A, ALA202C, ALA231C, ALA234C, ALA257C, ALA261C, ALA28C, ALA325A, ALA39A, ALA40C, ALA6A, ARG164C, ARG165C, ARG166C, ARG169C, ARG250C, ARG282A, ARG329A, ARG43A, ARG43C, ARG45A, ARG47A, ARG49A, ARG52A, ASN163C, ASN170C, ASN207C, ASN246C, ASP157C, ASP167C, ASP208C, ASP230C, ASP253C, ASP260C, ASP286A, ASP29C, ASP30C, ASP345A, ASP53A, ASP7A, CYS205C, CYS330A, CYS4A, GLN171C, GLN251C, GLN348A, GLU229C, GLU232C, GLU254C, GLU264C, GLU326A, GLU36C, GLY162C, GLY224C, GLY284A, GLY31C, GLY335A, HIS237C, HIS247C, HIS328A, ILE154C, ILE156C, ILE225C, ILE322A, ILE32C, ILE38A, ILE44A, LEU161C, LEU209C, LEU222C, LEU226C, LEU233C, LEU252C, LEU288A, LEU2A, LEU323A, LEU333A, LEU346A, LEU46A, LEU51A, LEU5A, LYS168C, LYS223C, LYS228C, LYS289A, LYS42A, LYS56A, MET130C, MET331A, MET54A, PHE204C, PHE41A, PHE8A, PRO159C, PRO1A, PRO48A, SER203C, SER245C, SER256C, SER334A, SER35C, SER55A, THR155C, THR158C, THR227C, THR283A, THR285A, THR332A, THR33C, TRP206C, TYR50A, VAL160C, VAL239C, VAL255C, VAL265C, VAL3A, VAL57A
• A-D: ALA10D, ALA202A, ALA231A, ALA234A, ALA257A, ALA261A, ALA28A, ALA325D, ALA39A, ALA39D, ALA40A, ALA6D, ARG164A, ARG165A, ARG166A, ARG169A, ARG250A, ARG282D, ARG329D, ARG43A, ARG43D, ARG45D, ARG47D, ARG49D, ARG52D, ASN163A, ASN170A, ASN207A, ASN246A, ASP157A, ASP167A, ASP208A, ASP230A, ASP253A, ASP260A, ASP286D, ASP29A, ASP30A, ASP345D, ASP53D, ASP7D, CYS205A, CYS330D, CYS336D, CYS4D, GLN171A, GLN251A, GLN348D, GLU229A, GLU232A, GLU254A, GLU264A, GLU326D, GLU36A, GLY162A, GLY224A, GLY284D, GLY31A, GLY335D, HIS237A, HIS247A, HIS328D, ILE154A, ILE156A, ILE225A, ILE322D, ILE32A, ILE38D, ILE44D, LEU161A, LEU209A, LEU222A, LEU226A, LEU233A, LEU252A, LEU288D, LEU2D, LEU323D, LEU333D, LEU346D, LEU46D, LEU51D, LEU5D, LYS168A, LYS223A, LYS228A, LYS289D, LYS42D, LYS56D, MET130A, MET331D, MET54D, PHE204A, PHE41D, PHE8D, PRO159A, PRO1D, PRO48D, SER203A, SER245A, SER256A, SER334D, SER35A, SER55D, THR155A, THR158A, THR227A, THR283D, THR285D, THR332D, THR33A, TRP206A, TYR50D, VAL160A, VAL239A, VAL255A, VAL265A, VAL3D, VAL57D
• A-F: ALA12A, ALA12F, ALA176A, ALA176F, ALA309A, ALA309F, ALA83A, ALA83F, ARG169A, ARG169F, ASN170A, ASN170F, ASN173A, ASN173F, ASP22A, ASP22F, ASP86A, ASP86F, CYS310A, CYS310F, GLN13A, GLN13F, GLN15A, GLN15F, GLN171A, GLN171F, GLU175A, GLU175F, HIS11A, HIS11F, ILE82A, ILE82F, LEU16A, LEU16F, LEU172A, LEU172F, LEU174A, LEU174F, LYS14A, LYS14F, LYS18A, LYS18F, LYS311A, LYS311F, PRO85A, PRO85F, SER17A, SER17F, SER20A, SER20F, THR19A, THR19F, TRP21A, TRP21F, TRP84A, TRP84F
• A-G: HIS11A, HIS11G, PRO1A, PRO1G
• B-C: ALA10C, ALA202B, ALA231B, ALA234B, ALA257B, ALA261B, ALA28B, ALA325C, ALA39C, ALA40B, ALA6C, ARG164B, ARG165B, ARG166B, ARG169B, ARG250B, ARG282C, ARG329C, ARG43B, ARG43C, ARG45C, ARG47C, ARG49C, ARG52C, ASN163B, ASN170B, ASN207B, ASN246B, ASP157B, ASP167B, ASP208B, ASP230B, ASP253B, ASP260B, ASP286C, ASP29B, ASP30B, ASP345C, ASP53C, ASP7C, CYS205B, CYS330C, CYS4C, GLN171B, GLN251B, GLN348C, GLU229B, GLU232B, GLU254B, GLU264B, GLU326C, GLU36B, GLY162B, GLY224B, GLY284C, GLY31B, GLY335C, HIS237B, HIS247B, HIS328C, ILE154B, ILE156B, ILE225B, ILE322C, ILE32B, ILE38C, ILE44C, LEU161B, LEU209B, LEU222B, LEU226B, LEU233B, LEU252B, LEU288C, LEU2C, LEU323C, LEU333C, LEU346C, LEU46C, LEU51C, LEU5C, LYS168B, LYS223B, LYS228B, LYS289C, LYS42C, LYS56C, MET331C, MET54C, PHE204B, PHE41C, PHE8C, PRO159B, PRO1C, PRO48C, SER203B, SER245B, SER256B, SER334C, SER35B, SER55C, THR155B, THR158B, THR227B, THR283C, THR285C, THR332C, THR33B, TRP206B, TYR50C, VAL160B, VAL239B, VAL255B, VAL265B, VAL3C, VAL57C
• B-D: ALA10B, ALA202D, ALA231D, ALA234D, ALA257D, ALA261D, ALA28D, ALA325B, ALA39B, ALA39D, ALA40D, ALA6B, ARG164D, ARG165D, ARG166D, ARG169D, ARG250D, ARG282B, ARG329B, ARG43B, ARG43D, ARG45B, ARG47B, ARG49B, ARG52B, ASN163D, ASN170D, ASN207D, ASN246D, ASP157D, ASP167D, ASP208D, ASP230D, ASP253D, ASP260D, ASP286B, ASP29D, ASP30D, ASP345B, ASP53B, ASP7B, CYS205D, CYS330B, CYS336B, CYS4B, GLN171D, GLN251D, GLN348B, GLU229D, GLU232D, GLU254D, GLU264D, GLU326B, GLU36D, GLY162D, GLY224D, GLY284B, GLY31D, GLY335B, HIS237D, HIS247D, HIS328B, ILE154D, ILE156D, ILE225D, ILE322B, ILE32D, ILE38B, ILE44B, LEU161D, LEU209D, LEU222D, LEU226D, LEU233D, LEU252D, LEU288B, LEU2B, LEU323B, LEU333B, LEU346B, LEU46B, LEU51B, LEU5B, LYS168D, LYS223D, LYS228D, LYS289B, LYS42B, LYS56B, MET331B, MET54B, PHE204D, PHE41B, PHE8B, PRO159D, PRO1B, PRO48B, SER203D, SER245D, SER256D, SER334B, SER35D, SER55B, THR155D, THR158D, THR227D, THR283B, THR285B, THR332B, THR33D, TRP206D, TYR50B, VAL160D, VAL239D, VAL255D, VAL265D, VAL3B, VAL57B
• B-E: ALA12B, ALA12E, ALA176B, ALA176E, ALA309B, ALA309E, ARG169B, ARG169E, ASN170B, ASN170E, ASN173B, ASN173E, ASP22B, ASP22E, ASP86B, ASP86E, CYS310B, CYS310E, GLN13B, GLN13E, GLN15B, GLN15E, GLN171B, GLN171E, GLU175B, GLU175E, HIS11B, HIS11E, LEU16B, LEU16E, LEU172B, LEU172E, LYS14B, LYS14E, LYS18B, LYS18E, LYS311B, LYS311E, PRO85B, PRO85E, SER17B, SER17E, SER20B, SER20E, THR19B, THR19E, TRP21B, TRP21E, TRP84B, TRP84E
• B-H: HIS11B, HIS11H, PRO1B, PRO1H
• C-E: HIS11C, HIS11E, PRO1C, PRO1E
• C-G: ALA12C, ALA12G, ALA176C, ALA176G, ALA309C, ALA309G, ALA83C, ALA83G, ARG169C, ARG169G, ASN170C, ASN170G, ASN173C, ASN173G, ASP22C, ASP22G, ASP86C, ASP86G, CYS310C, CYS310G, GLN13C, GLN13G, GLN15C, GLN15G, GLN171C, GLN171G, GLU175C, GLU175G, HIS11C, HIS11G, ILE82G, LEU16C, LEU16G, LEU172C, LEU172G, LEU174C, LEU174G, LYS14C, LYS14G, LYS18C, LYS18G, LYS311C, LYS311G, PRO85C, PRO85G, SER17C, SER17G, SER20C, SER20G, THR19C, THR19G, TRP21C, TRP21G, TRP84C, TRP84G
• D-F: HIS11D, HIS11F, PRO1D, PRO1F
• D-H: ALA12D, ALA12H, ALA176D, ALA176H, ALA309D, ALA309H, ALA83D, ALA83H, ARG169D, ARG169H, ASN170D, ASN170H, ASN173D, ASN173H, ASP22D, ASP22H, ASP86D, ASP86H, CYS310D, CYS310H, GLN13D, GLN13H, GLN15D, GLN15H, GLN171D, GLN171H, GLU175D, GLU175H, HIS11D, HIS11H, LEU16D, LEU16H, LEU172D, LEU172H, LEU174D, LEU174H, LYS14D, LYS14H, LYS18D, LYS18H, LYS311D, LYS311H, PRO85D, PRO85H, SER17D, SER17H, SER20D, SER20H, THR19D, THR19H, TRP21D, TRP21H, TRP84D, TRP84H
• E-G: ALA10E, ALA202G, ALA231G, ALA234G, ALA257G, ALA261G, ALA28G, ALA325E, ALA39E, ALA39G, ALA40G, ALA6E, ARG164G, ARG165G, ARG166G, ARG169G, ARG250G, ARG282E, ARG329E, ARG43E, ARG43G, ARG45E, ARG47E, ARG49E, ARG52E, ASN163G, ASN170G, ASN207G, ASN246G, ASP157G, ASP167G, ASP208G, ASP230G, ASP253G, ASP260G, ASP286E, ASP29G, ASP30G, ASP345E, ASP53E, ASP7E, CYS205G, CYS330E, CYS336E, CYS4E, GLN171G, GLN251G, GLN348E, GLU229G, GLU232G, GLU254G, GLU264G, GLU326E, GLU36G, GLY162G, GLY224G, GLY284E, GLY31G, GLY335E, HIS237G, HIS247G, HIS328E, ILE154G, ILE156G, ILE225G, ILE322E, ILE32G, ILE38E, ILE44E, LEU161G, LEU209G, LEU222G, LEU226G, LEU233G, LEU252G, LEU288E, LEU2E, LEU323E, LEU333E, LEU346E, LEU46E, LEU51E, LEU5E, LYS168G, LYS223G, LYS228G, LYS289E, LYS42E, LYS56E, MET130G, MET331E, MET54E, PHE204G, PHE41E, PHE8E, PRO159G, PRO1E, PRO48E, SER203G, SER245G, SER256G, SER334E, SER35G, SER55E, THR155G, THR158G, THR227G, THR283E, THR285E, THR332E, THR33G, TRP206G, TYR50E, VAL160G, VAL239G, VAL255G, VAL265G, VAL3E, VAL57E
• E-H: ALA10H, ALA202E, ALA231E, ALA234E, ALA257E, ALA261E, ALA28E, ALA325H, ALA39E, ALA39H, ALA40E, ALA6H, ARG164E, ARG165E, ARG166E, ARG169E, ARG250E, ARG282H, ARG329H, ARG43E, ARG43H, ARG45H, ARG47H, ARG49H, ARG52H, ASN163E, ASN170E, ASN207E, ASN246E, ASP157E, ASP167E, ASP208E, ASP230E, ASP253E, ASP260E, ASP286H, ASP29E, ASP30E, ASP345H, ASP53H, ASP7H, CYS205E, CYS330H, CYS4H, GLN171E, GLN251E, GLN348H, GLU229E, GLU232E, GLU254E, GLU264E, GLU326H, GLU36E, GLY162E, GLY224E, GLY284H, GLY31E, GLY335H, HIS237E, HIS247E, HIS328H, ILE154E, ILE156E, ILE225E, ILE322H, ILE32E, ILE38H, ILE44H, LEU161E, LEU209E, LEU222E, LEU226E, LEU233E, LEU252E, LEU288H, LEU2H, LEU323H, LEU333H, LEU346H, LEU46H, LEU51H, LEU5H, LYS168E, LYS223E, LYS228E, LYS289H, LYS42H, LYS56H, MET331H, MET54H, PHE204E, PHE41H, PHE8H, PRO159E, PRO1H, PRO48H, SER203E, SER245E, SER256E, SER334H, SER35E, SER55H, THR155E, THR158E, THR227E, THR283H, THR285H, THR332H, THR33E, TRP206E, TYR50H, VAL160E, VAL239E, VAL255E, VAL265E, VAL3H, VAL57H
• F-G: ALA10G, ALA202F, ALA231F, ALA234F, ALA257F, ALA261F, ALA28F, ALA325G, ALA39F, ALA39G, ALA40F, ALA6G, ARG164F, ARG165F, ARG166F, ARG169F, ARG250F, ARG282G, ARG329G, ARG43F, ARG43G, ARG45G, ARG47G, ARG49G, ARG52G, ASN163F, ASN170F, ASN207F, ASN246F, ASP157F, ASP167F, ASP208F, ASP230F, ASP253F, ASP260F, ASP286G, ASP29F, ASP30F, ASP345G, ASP53G, ASP7G, CYS205F, CYS330G, CYS336G, CYS4G, GLN171F, GLN251F, GLN348G, GLU229F, GLU232F, GLU254F, GLU264F, GLU326G, GLU36F, GLY162F, GLY224F, GLY284G, GLY31F, GLY335G, HIS237F, HIS247F, HIS328G, ILE154F, ILE156F, ILE225F, ILE322G, ILE32F, ILE38G, ILE44G, LEU161F, LEU209F, LEU222F, LEU226F, LEU233F, LEU252F, LEU288G, LEU2G, LEU323G, LEU333G, LEU346G, LEU46G, LEU51G, LEU5G, LYS168F, LYS223F, LYS228F, LYS289G, LYS42G, LYS56G, MET331G, MET54G, PHE204F, PHE41G, PHE8G, PRO159F, PRO1G, PRO48G, SER203F, SER245F, SER256F, SER334G, SER35F, SER55G, THR155F, THR158F, THR227F, THR283G, THR285G, THR332G, THR33F, TRP206F, TYR50G, VAL160F, VAL239F, VAL255F, VAL265F, VAL3G, VAL57G
• F-H: ALA10F, ALA202H, ALA231H, ALA234H, ALA257H, ALA261H, ALA28H, ALA325F, ALA39F, ALA40F, ALA40H, ALA6F, ARG164H, ARG165H, ARG166H, ARG169H, ARG250H, ARG282F, ARG329F, ARG43F, ARG43H, ARG45F, ARG47F, ARG49F, ARG52F, ASN163H, ASN170H, ASN207H, ASN246H, ASP157H, ASP167H, ASP208H, ASP230H, ASP253H, ASP260H, ASP286F, ASP29H, ASP30H, ASP345F, ASP53F, ASP7F, CYS205H, CYS330F, CYS4F, GLN171H, GLN251H, GLN348F, GLU229H, GLU232H, GLU254H, GLU264H, GLU326F, GLU36H, GLY162H, GLY224H, GLY284F, GLY31H, GLY335F, HIS237H, HIS247H, HIS328F, ILE154H, ILE156H, ILE225H, ILE322F, ILE32H, ILE38F, ILE44F, LEU161H, LEU209H, LEU222H, LEU226H, LEU233H, LEU252H, LEU288F, LEU2F, LEU323F, LEU333F, LEU346F, LEU46F, LEU51F, LEU5F, LYS168H, LYS223H, LYS228H, LYS289F, LYS42F, LYS56F, MET130H, MET331F, MET54F, PHE204H, PHE41F, PHE8F, PRO159H, PRO1F, PRO48F, SER203H, SER245H, SER256H, SER334F, SER35H, SER55F, THR155H, THR158H, THR227H, THR283F, THR285F, THR332F, THR33H, TRP206H, TYR50F, VAL160H, VAL239H, VAL255H, VAL265H, VAL3F, VAL57F