2ZUK

the crystal structure of alpha-amino-epsilon-caprolactam racemase from achromobacter obae complexed with epsilon caprolactam (different binding mode)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 319
  • Norm. En. per Res.: -5.0552
• 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	-322.7061	-58.2597	-1231.64	-1612.6057	319	54	66	49141	4	29	36

Interface residues

• A-B: ALA113A, ALA113B, ALA116A, ALA116B, ALA117A, ALA117B, ALA11A, ALA11B, ALA120A, ALA120B, ALA124A, ALA124B, ALA12A, ALA12B, ALA146A, ALA146B, ALA25A, ALA25B, ALA277A, ALA277B, ALA280A, ALA280B, ALA282A, ALA282B, ALA288A, ALA288B, ALA290A, ALA290B, ALA292A, ALA292B, ALA303A, ALA303B, ALA305A, ALA305B, ALA434A, ALA434B, ALA48A, ALA48B, ALA4A, ALA4B, ALA51A, ALA51B, ALA52A, ALA52B, ALA63A, ALA63B, ALA64A, ALA64B, ALA67A, ALA67B, ALA68A, ALA68B, ALA69A, ALA69B, ALA70A, ALA70B, ALA73A, ALA73B, ALA75A, ALA75B, ALA80A, ALA80B, ALA83A, ALA83B, ALA85A, ALA85B, ALA89A, ALA89B, ARG119A, ARG119B, ARG20A, ARG20B, ARG30A, ARG30B, ARG33A, ARG33B, ARG8A, ARG8B, ARG91A, ARG91B, ASN15A, ASN15B, ASN299A, ASN299B, ASN71A, ASN71B, ASN82A, ASN82B, ASP112A, ASP112B, ASP286A, ASP286B, ASP44A, ASP44B, ASP7A, ASP7B, ASP9A, ASP9B, CYS140A, CYS140B, CYS287A, CYS287B, GLN17A, GLN17B, GLN294A, GLN294B, GLU115A, GLU115B, GLU283A, GLU283B, GLU36A, GLU36B, GLU37A, GLU37B, GLU90A, GLU90B, GLY100A, GLY107A, GLY107B, GLY10A, GLY10B, GLY110A, GLY110B, GLY139A, GLY139B, GLY143A, GLY143B, GLY14A, GLY14B, GLY266A, GLY266B, GLY268A, GLY268B, GLY270A, GLY270B, GLY271A, GLY271B, GLY272A, GLY272B, GLY28A, GLY28B, GLY298A, GLY298B, GLY29A, GLY29B, GLY31A, GLY31B, GLY435A, GLY435B, GLY47A, GLY47B, GLY50A, GLY50B, GLY55A, GLY55B, GLY57A, GLY57B, GLY74A, GLY74B, HIS102A, HIS102B, HIS108A, HIS108B, HIS297A, HIS297B, HIS58A, HIS58B, ILE104A, ILE104B, ILE121A, ILE121B, ILE13A, ILE13B, ILE26A, ILE26B, ILE279A, ILE279B, ILE284A, ILE284B, ILE301A, ILE301B, ILE35A, ILE35B, ILE375A, ILE61A, ILE61B, ILE77A, ILE77B, LEU16A, LEU16B, LEU19A, LEU19B, LEU24A, LEU24B, LEU269A, LEU269B, LEU273A, LEU273B, LEU275A, LEU275B, LEU285A, LEU285B, LEU296A, LEU296B, LEU34A, LEU34B, LEU5A, LEU5B, LEU78A, LEU78B, LEU88A, LEU88B, LEU92A, LEU92B, LEU93A, LEU93B, LYS103A, LYS103B, LYS123A, LYS123B, LYS18A, LYS18B, LYS241A, LYS241B, LYS267A, LYS267B, LYS3A, MET145A, MET145B, MET293A, MET293B, PHE106A, PHE106B, PHE147A, PHE147B, PHE21A, PHE21B, PHE22A, PHE22B, PHE291A, PHE291B, PHE433A, PRO23A, PRO23B, PRO274A, PRO274B, PRO281A, PRO281B, PRO300A, PRO300B, PRO59A, PRO59B, PRO72A, PRO72B, PRO84A, PRO84B, SER109A, SER109B, SER111A, SER111B, SER144A, SER144B, SER276A, SER276B, SER27A, SER27B, SER289A, SER289B, SER302A, SER302B, SER46A, SER46B, SER53A, SER53B, SER66A, SER66B, SER79A, SER79B, SER81A, SER81B, THR101B, THR141A, THR141B, THR295A, THR295B, THR76A, THR76B, THR87A, THR87B, TRP105A, TRP105B, TRP436A, TRP436B, TRP49A, TRP49B, TYR118A, TYR118B, TYR137A, TYR137B, TYR386A, TYR386B, TYR56A, TYR56B, TYR6A, TYR6B, VAL142A, VAL142B, VAL240A, VAL240B, VAL278A, VAL278B, VAL384A, VAL384B, VAL62A, VAL62B, VAL65A, VAL65B, VAL86A, VAL86B