2IOH

crystal structure of phosphonoacetaldehyde hydrolase with a k53r mutation

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 59
  • Norm. En. per Res.: -2.8381
• Hub Node: A(2)

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	0.0	0.0	-167.45	-167.45	59	4	4	6464	0	4	6
A-C	0.0	42.699	-58.4263	-15.7273	44	5	3	3210	0	11	16
B-C	0.0	11.9504	-31.389	-19.4386	49	1	2	2038	0	20	21
B-D	0.0	-56.4155	-50.9273	-107.3428	49	4	0	2489	6	22	36

Interface residues

• A-B: ALA158A, ALA158B, ALA170A, ALA170B, ALA197A, ALA197B, ARG195A, ARG195B, ASN169A, ASN169B, ASN179A, ASN179B, ASN196A, ASN196B, ASP155A, ASP155B, CYS166A, CYS166B, GLU172A, GLU172B, GLU193A, GLY174A, GLY174B, GLY198A, GLY198B, LEU173A, LEU173B, LYS168A, LYS168B, LYS192A, LYS192B, MET165A, MET165B, MET171A, MET171B, MET178A, MET178B, MET181A, MET181B, PRO157A, PRO157B, PRO161A, PRO161B, PRO163A, PRO163B, PRO177A, PRO177B, TRP164A, TRP164B, TYR162A, TYR162B, TYR167A, TYR167B, TYR176A, TYR176B, VAL156A, VAL156B, VAL175A, VAL175B
• A-C: ALA158A, ALA59A, ALA81C, ARG236A, ARG36C, ARG58A, ARG72C, ARG75C, ASP55A, ASP82C, GLN76C, GLN84A, GLN84C, GLU31C, GLU62A, GLU80A, GLU80C, GLU85C, GLY159A, GLY37C, GLY50A, HIS34C, HIS56A, ILE32C, ILE54A, ILE83A, ILE83C, LEU51A, LEU52A, LEU77C, LYS192A, LYS35C, LYS47A, MET49A, MET86C, PHE74C, PRO157A, PRO161A, PRO48A, PRO78C, THR79C, TRP70C, TYR162A, VAL73C
• B-C: ALA102C, ALA113B, ALA137B, ALA140B, ALA141B, ALA141C, ARG100C, ARG116B, ARG118B, ASP148B, GLN143B, GLN143C, GLU117B, GLU139B, GLU139C, GLU172B, GLU215C, GLU216C, GLU217C, GLU219C, GLU27C, GLU31C, GLU7B, GLY119B, GLY144B, GLY144C, GLY174B, HIS34C, ILE120B, ILE122B, ILE97C, LEU142B, LEU142C, LEU173B, LYS109B, LYS109C, LYS121B, LYS138B, LYS138C, LYS146B, PHE149B, PRO147B, PRO99C, SER103C, THR214C, TYR101C, TYR145B, TYR176B, TYR20C
• B-D: ARG227B, ARG227D, ARG234B, ARG234D, ASN220D, ASP222B, ASP222D, GLN250B, GLN250D, GLU225B, GLU225D, GLU231B, GLU231D, GLU247B, GLU247D, GLU251B, GLU251D, GLU253B, GLU253D, GLU257B, GLU257D, GLU260B, GLU260D, HIS243B, HIS243D, HIS258B, HIS258D, ILE246B, ILE246D, ILE259B, ILE259D, MET221B, MET221D, MET256B, MET256D, PHE244B, PHE244D, SER223B, SER223D, SER254B, SER254D, THR245B, THR245D, THR248B, THR248D, VAL224B, VAL224D, VAL255B, VAL255D