2HML

crystal structure of the naphthalene 1,2-dioxygenase f352v mutant bound to phenanthrene.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 161
  • Norm. En. per Res.: -5.0792
• 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	-126.5572	-162.4181	-528.78	-817.7553	161	20	10	19107	14	53	41

Interface residues

• A-B: ALA193A, ALA214A, ALA228A, ALA231A, ALA263A, ALA330A, ALA345A, ALA355A, ALA50A, ALA73B, ALA74B, ALA84B, ALA93A, ALA96A, ARG145B, ARG147B, ARG148B, ARG183B, ARG218A, ARG342A, ARG343A, ARG350A, ARG69B, ARG72B, ARG77B, ARG78B, ARG98B, ASN107B, ASN110B, ASN150B, ASN189B, ASN230A, ASN322A, ASN363A, ASN365A, ASN82B, ASN86B, ASN89B, ASN91B, ASN95A, ASP104B, ASP264A, ASP346A, ASP361A, ASP362A, ASP364A, ASP45A, ASP53A, GLN102B, GLN106B, GLN151B, GLN186B, GLN349A, GLN371A, GLN63B, GLN65B, GLN93B, GLN94B, GLU100B, GLU182B, GLU221A, GLU325A, GLU359A, GLU367A, GLU63A, GLU70B, GLU76B, GLU83B, GLU90B, GLU92A, GLY109B, GLY184A, GLY187A, GLY210A, GLY220A, GLY229A, GLY353A, GLY356A, GLY52A, GLY94A, GLY98A, HIS101B, HIS188B, HIS213A, HIS44A, ILE184B, ILE191A, ILE319A, ILE48A, ILE67B, LEU103B, LEU114B, LEU182A, LEU185B, LEU190B, LEU217A, LEU265A, LEU47A, LEU71B, LEU81B, LEU95B, LYS188A, LYS192A, LYS58A, LYS80B, LYS96B, LYS97A, MET191B, MET85B, PHE155B, PHE193B, PHE357A, PRO105B, PRO112B, PRO185A, PRO186A, PRO354A, PRO49A, PRO51A, SER111B, SER215A, SER216A, SER219A, SER262A, SER347A, SER360A, SER46A, SER68B, SER75B, SER90A, THR187B, THR212A, THR323A, THR328A, THR351A, THR368A, THR43A, THR56A, TRP108B, TRP211A, TRP327A, TRP358A, TYR329A, TYR54A, TYR64B, TYR79B, TYR88B, VAL183A, VAL189A, VAL190A, VAL192B, VAL326A, VAL348A, VAL352A, VAL55A, VAL66B, VAL87B, VAL89A, VAL91A, VAL97B, VAL99B