1Q3K

crystal structure of creatinine amidohydrolase (creatininase)

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 155
  • Norm. En. per Res.: -4.883
• 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-B	-154.3548	9.6057	-630.867	-775.6161	193	23	2	23521	6	54	58
A-C	-3.6552	17.2396	-43.993	-30.4085	24	4	2	1443	0	11	15
A-E	0.0	20.5891	-44.8212	-24.2321	24	3	2	1459	0	11	14
A-F	-199.935	-76.3908	-437.771	-714.0968	156	22	17	17069	22	26	43
B-C	-200.709	-84.3002	-423.102	-708.1112	153	19	17	16633	22	28	44
B-D	-4.7496	19.257	-33.0304	-18.523	25	8	2	1438	0	12	14
B-F	0.0	18.8986	-43.6787	-24.7801	25	5	2	1537	0	11	15
C-D	-168.8503	-1.4138	-633.985	-804.249	190	27	2	23591	5	54	56
C-E	0.0	18.4268	-45.6742	-27.2474	24	5	2	1496	0	12	15
D-E	-225.216	-79.8383	-451.817	-756.8713	155	29	19	17267	22	28	43
D-F	0.0	21.9216	-43.776	-21.8544	25	9	2	1578	0	12	15
E-F	-154.6319	6.4178	-650.707	-798.9211	192	21	2	23634	6	54	57

Interface residues

• A-B: ALA107A, ALA107B, ALA17A, ALA17B, ALA20A, ALA20B, ALA223A, ALA223B, ALA32A, ALA32B, ALA93A, ALA93B, ARG104A, ARG104B, ARG108A, ARG108B, ARG199A, ARG199B, ASN43A, ASN43B, ASN82A, ASN82B, ASP101A, ASP101B, ASP193A, ASP193B, ASP196A, ASP196B, ASP91A, ASP91B, CYS41A, CYS41B, GLN100A, GLN100B, GLN35A, GLN35B, GLN69A, GLN69B, GLU105A, GLU105B, GLU137A, GLU137B, GLU14A, GLU14B, GLU16A, GLU16B, GLU34A, GLU34B, GLU9A, GLU9B, GLY110A, GLY110B, GLY225A, GLY225B, GLY37A, GLY37B, GLY67A, GLY67B, GLY71A, GLY71B, GLY81A, GLY81B, GLY86A, GLY86B, GLY8A, GLY8B, GLY92A, GLY92B, GLY97A, GLY97B, HIS109A, HIS109B, HIS178A, HIS178B, HIS36A, HIS36B, HIS38A, HIS38B, HIS39A, HIS39B, HIS83A, HIS83B, ILE102A, ILE102B, ILE103A, ILE103B, LEU106A, LEU106B, LEU10A, LEU10B, LEU114B, LEU194A, LEU194B, LEU26A, LEU26B, LEU28A, LEU28B, LEU33A, LEU33B, LEU47A, LEU47B, LEU63A, LEU63B, LEU65A, LEU65B, LEU68A, LEU68B, LEU90A, LEU90B, LEU95A, LEU95B, LYS13A, LYS13B, LYS3A, LYS3B, LYS73A, LYS73B, MET187A, MET187B, MET27A, MET27B, MET40A, MET40B, MET42A, MET42B, PHE6A, PHE6B, PHE84A, PHE84B, PRO222A, PRO222B, PRO224A, PRO224B, PRO29A, PRO29B, PRO66A, PRO66B, PRO85A, PRO85B, SER2A, SER2B, SER4A, SER4B, SER74A, SER74B, SER89A, SER89B, THR11A, THR11B, THR221A, THR221B, THR226A, THR226B, THR87A, THR87B, THR88A, THR88B, THR94A, THR94B, THR96A, THR96B, THR98A, THR98B, TRP12A, TRP12B, TYR15A, TYR15B, TYR191A, TYR191B, TYR70A, TYR70B, TYR72B, VAL111A, VAL111B, VAL195A, VAL195B, VAL19A, VAL19B, VAL201A, VAL201B, VAL216A, VAL216B, VAL30B, VAL44A, VAL44B, VAL46A, VAL46B, VAL64A, VAL64B, VAL7A, VAL7B, VAL99A, VAL99B
• A-C: ALA134A, ALA141A, ALA141C, ARG104A, ARG108A, ARG136A, ARG136C, ARG139A, ARG139C, ASP101A, ASP132C, GLN100A, GLU105A, GLU129C, GLU137A, GLU137C, GLY142A, GLY142C, HIS144C, ILE143A, LEU133C, LEU138A, TYR140A, TYR140C
• A-E: ALA134E, ALA141A, ALA141E, ARG104E, ARG108E, ARG136A, ARG136E, ARG139A, ARG139E, ASP101E, ASP132A, GLN100E, GLU105E, GLU129A, GLU137A, GLU137E, GLY142A, GLY142E, HIS144A, ILE143E, LEU133A, LEU138E, TYR140A, TYR140E
• A-F: ALA134A, ALA134F, ALA252A, ALA252F, ALA93A, ALA93F, ARG112A, ARG112F, ARG136A, ARG136F, ARG139A, ARG139F, ARG220A, ARG220F, ASN123A, ASN123F, ASN82A, ASN82F, ASP132A, ASP132F, ASP145A, ASP145F, ASP155A, ASP155F, ASP212A, ASP212F, ASP217A, ASP217F, ASP251A, ASP251F, ASP91A, ASP91F, GLN255A, GLN255F, GLN75A, GLN75F, GLN76A, GLN76F, GLU122A, GLU122F, GLU129A, GLU129F, GLU256A, GLU256F, GLY130A, GLY130F, GLY248A, GLY248F, GLY254A, GLY254F, GLY92A, GLY92F, HIS120A, HIS120F, HIS144A, HIS144F, ILE103A, ILE103F, ILE127A, ILE127F, ILE131A, ILE131F, ILE143A, ILE143F, ILE249A, ILE249F, ILE253A, ILE253F, LEU114A, LEU114F, LEU116A, LEU116F, LEU133A, LEU133F, LEU135A, LEU135F, LEU138A, LEU138F, LEU151A, LEU151F, LEU90A, LEU90F, LEU95A, LEU95F, LYS147A, LYS147F, LYS158A, LYS158F, LYS73A, LYS73F, LYS77A, LYS77F, MET125A, MET125F, PHE126A, PHE126F, PHE146A, PHE146F, PHE156A, PHE156F, PHE208A, PHE208F, PHE214A, PHE214F, PHE257A, PHE257F, PRO209A, PRO209F, PRO210A, PRO210F, PRO215A, PRO215F, PRO258A, PRO258F, SER124A, SER124F, SER152A, SER152F, SER74A, SER74F, SER78A, SER78F, SER89A, SER89F, THR207A, THR207F, THR94A, THR94F, THR96A, THR96F, TRP154A, TRP154F, TYR121A, TYR121F, TYR153A, TYR153F, TYR211A, TYR211F, TYR72A, TYR72F, VAL115A, VAL115F, VAL128A, VAL128F, VAL148A, VAL148F, VAL149A, VAL149F, VAL150A, VAL150F, VAL157A, VAL157F, VAL213A, VAL213F, VAL216A, VAL216F
• B-C: ALA134B, ALA134C, ALA252B, ALA252C, ALA93B, ALA93C, ARG112B, ARG136B, ARG136C, ARG139B, ARG139C, ARG220B, ARG220C, ASN123B, ASN123C, ASN82B, ASN82C, ASP132B, ASP132C, ASP145B, ASP145C, ASP155B, ASP155C, ASP212B, ASP212C, ASP217B, ASP217C, ASP251B, ASP251C, ASP91B, ASP91C, GLN255B, GLN255C, GLN75B, GLN75C, GLN76B, GLN76C, GLU122B, GLU122C, GLU129B, GLU129C, GLU256B, GLU256C, GLY130B, GLY130C, GLY248B, GLY248C, GLY92B, GLY92C, HIS120B, HIS120C, HIS144B, HIS144C, ILE103B, ILE103C, ILE127B, ILE127C, ILE131B, ILE131C, ILE143B, ILE143C, ILE249B, ILE249C, ILE253B, ILE253C, LEU114B, LEU114C, LEU116B, LEU116C, LEU133B, LEU133C, LEU135B, LEU135C, LEU138B, LEU138C, LEU151B, LEU151C, LEU90B, LEU90C, LEU95B, LEU95C, LYS147B, LYS147C, LYS158B, LYS158C, LYS73B, LYS73C, LYS77B, LYS77C, MET125B, MET125C, PHE126B, PHE126C, PHE146B, PHE146C, PHE156B, PHE156C, PHE208B, PHE208C, PHE214B, PHE214C, PHE257B, PHE257C, PRO209B, PRO209C, PRO210B, PRO210C, PRO215B, PRO215C, PRO258B, PRO258C, SER124B, SER124C, SER152B, SER152C, SER74B, SER74C, SER78B, SER78C, SER89B, SER89C, THR207B, THR207C, THR94B, THR94C, THR96B, THR96C, TRP154B, TRP154C, TYR121B, TYR121C, TYR153B, TYR153C, TYR211B, TYR211C, TYR72B, TYR72C, VAL115B, VAL115C, VAL128B, VAL128C, VAL148B, VAL148C, VAL149B, VAL149C, VAL150B, VAL150C, VAL157B, VAL157C, VAL213B, VAL213C, VAL216B, VAL216C
• B-D: ALA134D, ALA141B, ALA141D, ARG104D, ARG108D, ARG136B, ARG136D, ARG139B, ARG139D, ASP101D, ASP132B, GLN100D, GLU105D, GLU129B, GLU137B, GLU137D, GLY142B, GLY142D, HIS144B, ILE143D, LEU133B, LEU133D, LEU138D, TYR140B, TYR140D
• B-F: ALA134B, ALA141B, ALA141F, ARG104B, ARG108B, ARG136B, ARG136F, ARG139B, ARG139F, ASP101B, ASP132F, GLN100B, GLU105B, GLU129F, GLU137B, GLU137F, GLY142B, GLY142F, HIS144F, ILE143B, LEU133B, LEU133F, LEU138B, TYR140B, TYR140F
• C-D: ALA107C, ALA107D, ALA17C, ALA17D, ALA20C, ALA20D, ALA223C, ALA223D, ALA32C, ALA32D, ALA93C, ALA93D, ARG104C, ARG104D, ARG108C, ARG108D, ARG199C, ARG199D, ASN43C, ASN43D, ASN82C, ASN82D, ASP101C, ASP101D, ASP193C, ASP193D, ASP196C, ASP196D, ASP91C, ASP91D, CYS41C, CYS41D, GLN100C, GLN100D, GLN35C, GLN35D, GLN69C, GLN69D, GLU105C, GLU105D, GLU137C, GLU137D, GLU14C, GLU14D, GLU16C, GLU16D, GLU34C, GLU34D, GLU9C, GLU9D, GLY110C, GLY110D, GLY225C, GLY225D, GLY37C, GLY37D, GLY67C, GLY67D, GLY71C, GLY71D, GLY81C, GLY81D, GLY86C, GLY86D, GLY8C, GLY8D, GLY92C, GLY92D, GLY97C, GLY97D, HIS109C, HIS109D, HIS178C, HIS178D, HIS36C, HIS36D, HIS38C, HIS38D, HIS39C, HIS39D, HIS83C, HIS83D, ILE102C, ILE102D, ILE103C, ILE103D, LEU106C, LEU106D, LEU10C, LEU10D, LEU194C, LEU194D, LEU26C, LEU26D, LEU28C, LEU28D, LEU33C, LEU33D, LEU47C, LEU47D, LEU63C, LEU63D, LEU65C, LEU65D, LEU68C, LEU68D, LEU90C, LEU90D, LEU95C, LEU95D, LYS13C, LYS13D, LYS3C, LYS3D, LYS73C, LYS73D, MET187C, MET187D, MET27C, MET27D, MET40C, MET40D, MET42C, MET42D, PHE6C, PHE6D, PHE84C, PHE84D, PRO222C, PRO222D, PRO224C, PRO224D, PRO29C, PRO29D, PRO66C, PRO66D, PRO85C, PRO85D, SER2C, SER2D, SER4C, SER4D, SER74C, SER74D, SER89C, SER89D, THR11C, THR11D, THR221D, THR226C, THR226D, THR87C, THR87D, THR88C, THR88D, THR94C, THR94D, THR96C, THR96D, THR98C, THR98D, TRP12C, TRP12D, TYR15C, TYR15D, TYR191C, TYR191D, TYR70C, TYR70D, VAL111C, VAL111D, VAL195C, VAL195D, VAL19C, VAL19D, VAL201C, VAL201D, VAL216C, VAL216D, VAL30D, VAL44C, VAL44D, VAL46C, VAL46D, VAL64C, VAL64D, VAL7C, VAL7D, VAL99C, VAL99D
• C-E: ALA134C, ALA141C, ALA141E, ARG104C, ARG108C, ARG136C, ARG136E, ARG139C, ARG139E, ASP101C, ASP132E, GLN100C, GLU105C, GLU129E, GLU137C, GLU137E, GLY142C, GLY142E, HIS144E, ILE143C, LEU133E, LEU138C, TYR140C, TYR140E
• D-E: ALA134D, ALA134E, ALA252D, ALA252E, ALA93D, ALA93E, ARG112D, ARG112E, ARG136D, ARG136E, ARG139D, ARG139E, ARG220D, ARG220E, ASN123D, ASN123E, ASN82D, ASN82E, ASP132D, ASP132E, ASP145D, ASP145E, ASP155D, ASP155E, ASP159D, ASP212D, ASP212E, ASP217D, ASP217E, ASP251D, ASP251E, ASP91D, ASP91E, GLN255D, GLN255E, GLN75D, GLN75E, GLN76D, GLN76E, GLU122D, GLU122E, GLU129D, GLU129E, GLU256D, GLU256E, GLY130D, GLY130E, GLY248D, GLY248E, GLY92D, GLY92E, HIS120D, HIS120E, HIS144D, HIS144E, ILE103D, ILE103E, ILE127D, ILE127E, ILE131D, ILE131E, ILE143D, ILE143E, ILE249D, ILE249E, ILE253D, ILE253E, LEU114D, LEU114E, LEU116D, LEU116E, LEU133D, LEU133E, LEU135D, LEU135E, LEU138D, LEU138E, LEU151D, LEU151E, LEU90D, LEU90E, LEU95D, LEU95E, LYS147D, LYS147E, LYS158D, LYS158E, LYS73D, LYS73E, LYS77D, LYS77E, MET125D, MET125E, PHE126D, PHE126E, PHE146D, PHE146E, PHE156D, PHE156E, PHE208D, PHE208E, PHE214D, PHE214E, PHE257D, PHE257E, PRO209D, PRO209E, PRO210D, PRO210E, PRO215D, PRO215E, PRO258D, PRO258E, SER124D, SER124E, SER152D, SER152E, SER74D, SER74E, SER78D, SER78E, SER89D, SER89E, THR207D, THR207E, THR94D, THR94E, THR96D, THR96E, TRP154D, TRP154E, TYR121D, TYR121E, TYR153D, TYR153E, TYR211D, TYR211E, TYR72D, TYR72E, VAL115D, VAL115E, VAL128D, VAL128E, VAL148D, VAL148E, VAL149D, VAL149E, VAL150D, VAL150E, VAL157D, VAL157E, VAL213D, VAL213E, VAL216D, VAL216E
• D-F: ALA134F, ALA141D, ALA141F, ARG104F, ARG108F, ARG136D, ARG136F, ARG139D, ARG139F, ASP101F, ASP132D, GLN100F, GLU105F, GLU129D, GLU137D, GLU137F, GLY142D, GLY142F, HIS144D, ILE143F, LEU133D, LEU133F, LEU138F, TYR140D, TYR140F
• E-F: ALA107E, ALA107F, ALA17E, ALA17F, ALA20E, ALA20F, ALA223E, ALA223F, ALA32E, ALA32F, ALA93E, ALA93F, ARG104E, ARG104F, ARG108E, ARG108F, ARG199E, ARG199F, ASN43E, ASN43F, ASN82E, ASN82F, ASP101E, ASP101F, ASP193E, ASP193F, ASP196E, ASP196F, ASP91E, ASP91F, CYS41E, CYS41F, GLN100E, GLN100F, GLN35E, GLN35F, GLN69E, GLN69F, GLU105E, GLU105F, GLU137E, GLU137F, GLU14E, GLU14F, GLU16E, GLU16F, GLU34E, GLU34F, GLU9E, GLU9F, GLY110E, GLY110F, GLY225E, GLY225F, GLY37E, GLY37F, GLY67E, GLY67F, GLY71E, GLY71F, GLY81E, GLY81F, GLY86E, GLY86F, GLY8E, GLY8F, GLY92E, GLY92F, GLY97E, GLY97F, HIS109E, HIS109F, HIS178E, HIS178F, HIS36E, HIS36F, HIS38E, HIS38F, HIS39E, HIS39F, HIS83E, HIS83F, ILE102E, ILE102F, ILE103E, ILE103F, LEU106E, LEU106F, LEU10E, LEU10F, LEU114F, LEU194E, LEU194F, LEU26E, LEU26F, LEU28E, LEU28F, LEU33E, LEU33F, LEU47E, LEU47F, LEU63E, LEU63F, LEU65E, LEU65F, LEU68E, LEU68F, LEU90E, LEU90F, LEU95E, LEU95F, LYS13E, LYS13F, LYS3E, LYS3F, LYS73E, LYS73F, MET187E, MET187F, MET27E, MET27F, MET40E, MET40F, MET42E, MET42F, PHE6E, PHE6F, PHE84E, PHE84F, PRO222E, PRO222F, PRO224E, PRO224F, PRO29E, PRO29F, PRO66E, PRO66F, PRO85E, PRO85F, SER2E, SER2F, SER4E, SER4F, SER74E, SER74F, SER89E, SER89F, THR11E, THR11F, THR221E, THR221F, THR226E, THR226F, THR87E, THR87F, THR88E, THR88F, THR94E, THR94F, THR96E, THR96F, THR98E, THR98F, TRP12E, TRP12F, TYR15E, TYR15F, TYR191E, TYR191F, TYR70E, TYR70F, VAL111E, VAL111F, VAL195E, VAL195F, VAL19E, VAL19F, VAL201E, VAL201F, VAL216E, VAL216F, VAL30F, VAL44E, VAL44F, VAL46E, VAL46F, VAL64E, VAL64F, VAL7E, VAL7F, VAL99E, VAL99F