1V29

crystal structure of nitrile hydratase from a thermophile bacillus smithii

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 300
  • Norm. En. per Res.: -5.6963
• Hub Node: A(1)

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	-277.3184	-174.8147	-1256.77	-1708.9031	300	63	38	51207	24	139	138

Interface residues

• A-B: ALA101B, ALA125B, ALA142A, ALA203B, ALA210A, ALA31A, ALA33A, ALA35A, ALA40B, ALA44B, ALA50A, ALA51B, ALA78B, ALA81B, ARG106A, ARG112B, ARG134B, ARG144A, ARG146A, ARG152A, ARG160B, ARG163B, ARG166B, ARG169A, ARG178A, ARG198B, ARG200B, ARG203A, ARG24A, ARG32A, ARG33B, ARG44A, ARG53A, ARG56B, ARG63B, ARG93A, ARG98B, ASN115B, ASN116A, ASN212B, ASN2B, ASP107B, ASP11B, ASP164A, ASP172A, ASP202B, ASP204A, ASP213B, ASP218B, ASP24B, ASP30B, ASP49A, ASP53B, ASP66B, ASP6B, ASP91B, ASP97B, CYS120A, CYS123A, CYS125A, CYS42B, GLN100B, GLN101A, GLN111B, GLN211B, GLN213A, GLN26A, GLN45B, GLU103A, GLU104B, GLU114B, GLU123B, GLU128B, GLU140A, GLU150A, GLU157A, GLU167A, GLU173B, GLU174B, GLU176A, GLU21B, GLU22B, GLU23B, GLU30A, GLU32B, GLU37A, GLU42A, GLU52A, GLU59A, GLU60B, GLU61A, GLU86A, GLU89A, GLU92B, GLU94B, GLU96B, GLY102A, GLY129B, GLY12B, GLY132A, GLY14B, GLY159A, GLY177B, GLY37B, GLY3B, GLY41B, GLY63A, GLY74B, GLY88B, GLY8B, GLY96A, GLY99A, GLY9B, HIS104A, HIS115A, HIS158B, HIS179B, HIS20A, HIS21A, HIS22A, HIS29B, HIS57A, HIS5B, HIS60A, HIS75B, ILE105A, ILE110B, ILE168A, ILE16B, ILE207A, ILE217B, ILE41A, ILE4B, ILE51A, ILE55A, ILE59B, ILE77B, LEU100A, LEU118B, LEU122A, LEU126B, LEU127B, LEU130B, LEU131A, LEU133A, LEU155A, LEU162A, LEU196B, LEU206B, LEU219B, LEU34B, LEU36A, LEU38B, LEU39A, LEU40A, LEU45A, LEU46A, LEU47B, LEU62A, LEU68B, LEU84B, LEU85B, LEU90B, LEU95B, LYS105B, LYS109B, LYS117B, LYS120B, LYS124B, LYS139A, LYS149A, LYS153A, LYS15B, LYS20B, LYS28B, LYS34A, LYS43A, LYS50B, LYS56A, LYS61B, LYS93B, MET103B, MET10B, MET17B, MET1B, MET206A, MET43B, MET62B, MET65A, PHE102B, PHE13B, PHE158A, PHE161B, PHE179A, PHE18A, PHE201B, PHE27B, PHE28A, PHE36B, PHE52B, PHE55B, PHE98A, PRO106B, PRO116B, PRO129A, PRO132B, PRO134A, PRO135A, PRO141A, PRO151A, PRO162B, PRO163A, PRO182B, PRO19A, PRO23A, PRO25A, PRO64A, PRO64B, PRO88A, SER124A, SER131B, SER136A, SER145A, SER165A, SER173A, SER174A, SER175A, SER205A, SER214B, SER27A, SER38A, SER47A, SER48A, SER70B, SER71B, THR108B, THR113A, THR121A, THR159B, THR202A, THR25B, THR35B, THR69B, THR79B, THR99B, TRP113B, TRP128A, TRP137A, TRP171A, TRP207B, TRP220B, TRP29A, TRP31B, TRP76B, TYR126A, TYR138A, TYR143A, TYR164B, TYR176B, TYR18B, TYR197B, TYR216B, TYR223B, TYR26B, TYR58A, TYR67B, TYR72B, TYR73B, TYR82B, VAL107A, VAL108A, VAL114A, VAL117A, VAL118A, VAL119A, VAL119B, VAL121B, VAL122B, VAL133B, VAL147A, VAL148A, VAL154A, VAL165B, VAL166A, VAL170A, VAL175B, VAL177A, VAL180B, VAL199B, VAL19B, VAL201A, VAL209A, VAL209B, VAL215B, VAL39B, VAL54A, VAL65B, VAL7B, VAL80B, VAL89B