2BVG

crystal structure of 6-hydoxy-d-nicotine oxidase from arthrobacter nicotinovorans. crystal form 1 (p21)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 83
  • Norm. En. per Res.: -0.8401
• Hub Node: A(3)

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	-17.6745	-12.2904	574.476	544.5111	56	16	1	3765	0	18	18
A-C	0.0	-4.9835	-64.7462	-69.7297	83	7	0	4194	2	28	28
A-D	0.0	0.0	-1.606	-1.606	34	20	0	1557	0	10	6
B-C	0.0	-4.4919	-10.5723	-15.0642	24	1	0	869	0	6	5
C-D	-7.0377	-19.221	374.103	347.8443	53	26	0	3224	0	14	16

Interface residues

• A-B: ALA166A, ALA166B, ALA437B, ALA58A, ALA58B, ALA7A, ALA7B, ARG178A, ARG178B, ARG440A, ARG440B, ARG447A, ARG447B, ARG56A, ARG56B, ASN446B, ASN61A, ASN61B, ASP169A, ASP169B, ASP443B, ASP60A, ASP60B, CYS59A, CYS59B, GLU441A, GLU441B, GLU445A, GLU445B, GLY168A, GLY168B, GLY62A, GLY62B, ILE171B, LEU63A, LEU63B, LEU6A, LEU6B, LYS439B, LYS53A, LYS53B, PRO444A, PRO444B, THR165A, THR165B, THR167A, THR167B, THR8A, THR8B, TYR442A, TYR442B, TYR57A, TYR57B, VAL438B, VAL55A, VAL55B
• A-C: ALA48A, ALA48C, ALA52A, ALA99A, ALA99C, ARG102A, ARG102C, ARG104A, ARG104C, ARG178A, ARG178C, ARG44A, ARG56A, ASN92A, ASN92C, ASP169A, ASP169C, ASP176C, ASP50A, ASP50C, ASP97A, ASP97C, CYS45A, GLN13A, GLN13C, GLU117A, GLU117C, GLU15A, GLU177C, GLU197A, GLU197C, GLU199A, GLY100A, GLY100C, GLY106C, GLY107C, GLY108C, GLY14A, GLY14C, GLY168A, GLY49A, GLY49C, HIS95A, HIS95C, ILE105C, ILE12A, ILE171A, ILE171C, ILE94A, ILE94C, ILE96A, ILE96C, LEU163A, LEU46A, LEU46C, LEU88C, LEU90A, LEU90C, LYS120C, LYS53A, MET91A, MET91C, PHE121A, PHE121C, SER174C, SER47A, SER47C, SER93A, SER93C, THR162A, THR162C, THR167A, THR196A, THR196C, THR98A, THR98C, TYR172A, TYR172C, VAL109C, VAL164A, VAL170A, VAL170C, VAL51A
• A-D: ALA118A, ALA119A, ALA7D, ALA99A, ARG207A, ASP21D, ASP294A, ASP97A, GLN13D, GLU117A, GLU15D, GLU295A, GLY122A, HIS95A, ILE12D, ILE94A, ILE96A, LEU10D, LEU123A, LEU6D, LYS116A, LYS120A, LYS208A, LYS53D, LYS5D, PHE121A, PRO9D, SER11D, SER292A, THR8D, THR98A, TYR18D, TYR57D, VAL16D
• B-C: ALA119C, ALA48B, ALA52B, ALA99C, ARG207C, ARG56B, ASP169B, ASP50B, GLN13B, GLY122C, GLY168B, GLY49B, LEU123C, LEU205C, LEU46B, LYS120C, LYS208C, LYS53B, PHE121C, SER11B, SER47B, THR8B, THR98C, VAL170B
• C-D: ALA166C, ALA166D, ALA52C, ALA52D, ALA58C, ALA58D, ALA7C, ALA7D, ARG178C, ARG178D, ARG447C, ARG447D, ARG56C, ARG56D, ASN61C, ASN61D, ASP169C, ASP169D, ASP60C, ASP60D, CYS59C, CYS59D, GLU441C, GLU445C, GLU445D, GLY168C, GLY168D, GLY62C, GLY62D, ILE171C, ILE171D, LEU63C, LEU63D, LEU6C, LEU6D, LYS53C, LYS53D, PRO444C, PRO444D, PRO9C, PRO9D, THR165C, THR165D, THR167C, THR167D, THR8C, THR8D, TYR57C, TYR57D, VAL170C, VAL170D, VAL55C, VAL55D