2C3C

2.01 angstrom x-ray crystal structure of a mixed disulfide between coenzyme m and nadph-dependent oxidoreductase 2- ketopropyl coenzyme m carboxylase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 403
  • Norm. En. per Res.: -4.1722
• 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	-159.1823	-121.798	-1400.41	-1681.3903	403	58	37	54309	17	102	92

Interface residues

• A-B: ALA103A, ALA103B, ALA131A, ALA131B, ALA17A, ALA17B, ALA235A, ALA235B, ALA364A, ALA364B, ALA430A, ALA430B, ALA433A, ALA433B, ALA441A, ALA441B, ALA447A, ALA447B, ALA467B, ALA474A, ALA474B, ALA477A, ALA477B, ALA515A, ALA515B, ALA53A, ALA53B, ALA60A, ALA60B, ALA64A, ALA64B, ALA86A, ALA86B, ALA97A, ALA97B, ALA98A, ALA98B, ARG104A, ARG104B, ARG130A, ARG130B, ARG133A, ARG133B, ARG365A, ARG365B, ARG373A, ARG373B, ARG436A, ARG436B, ARG462A, ARG462B, ARG512A, ARG512B, ARG514A, ARG514B, ARG56A, ARG56B, ARG63A, ARG63B, ASN134A, ASN134B, ASN149A, ASN149B, ASN14A, ASN14B, ASN386A, ASN386B, ASN425A, ASN425B, ASN428A, ASN428B, ASN482A, ASN482B, ASN503A, ASN503B, ASN519A, ASN519B, ASP114A, ASP114B, ASP127A, ASP127B, ASP389A, ASP389B, ASP422A, ASP422B, ASP435A, ASP435B, ASP476A, ASP476B, ASP492A, ASP492B, ASP496A, ASP496B, ASP498A, ASP498B, ASP95A, ASP95B, CYS369A, CYS369B, CYS82A, CYS82B, CYS87A, CYS87B, CYS96A, CYS96B, GLN109A, GLN109B, GLN143A, GLN143B, GLN147A, GLN147B, GLN15A, GLN15B, GLN453A, GLN453B, GLN479A, GLN479B, GLN487A, GLN487B, GLN509A, GLN509B, GLU124A, GLU124B, GLU146A, GLU146B, GLU360A, GLU360B, GLU378A, GLU378B, GLU396A, GLU396B, GLU424A, GLU424B, GLU493A, GLU493B, GLU499A, GLU499B, GLU99A, GLU99B, GLY108A, GLY108B, GLY121A, GLY121B, GLY132A, GLY132B, GLY135A, GLY135B, GLY138A, GLY138B, GLY368A, GLY368B, GLY426A, GLY426B, GLY443A, GLY443B, GLY471A, GLY471B, GLY473A, GLY473B, GLY495A, GLY495B, GLY516A, GLY516B, GLY58A, GLY58B, GLY66A, GLY66B, HIS10A, HIS10B, HIS137A, HIS137B, HIS392A, HIS392B, HIS394A, HIS394B, HIS469A, HIS469B, HIS506A, HIS506B, HIS84A, HIS84B, HIS90A, HIS90B, HIS91A, HIS91B, ILE139A, ILE139B, ILE13A, ILE13B, ILE380A, ILE380B, ILE417A, ILE417B, ILE455A, ILE455B, ILE485A, ILE485B, ILE508A, ILE508B, LEU100A, LEU100B, LEU102A, LEU102B, LEU11A, LEU11B, LEU128A, LEU128B, LEU148A, LEU148B, LEU150A, LEU150B, LEU391A, LEU391B, LEU400A, LEU400B, LEU431A, LEU431B, LEU439A, LEU439B, LEU481A, LEU481B, LEU484A, LEU484B, LEU489A, LEU489B, LEU494A, LEU494B, LEU500A, LEU500B, LEU502A, LEU502B, LEU510A, LEU510B, LEU513A, LEU513B, LEU520A, LEU520B, LEU523A, LEU523B, LEU62A, LEU62B, LEU92A, LEU92B, LYS118A, LYS118B, LYS123A, LYS123B, LYS224A, LYS224B, LYS363A, LYS363B, LYS366A, LYS366B, LYS385A, LYS385B, LYS418A, LYS418B, LYS444A, LYS444B, LYS475A, LYS475B, LYS486A, LYS486B, LYS518A, LYS518B, MET101A, MET101B, MET115A, MET115B, MET140A, MET140B, MET361A, MET361B, MET419A, MET419B, MET438A, MET438B, MET497A, MET497B, MET65A, MET65B, PHE106A, PHE106B, PHE112A, PHE112B, PHE129A, PHE129B, PHE142A, PHE142B, PHE232A, PHE232B, PHE362A, PHE362B, PHE390A, PHE390B, PHE399A, PHE399B, PHE442A, PHE442B, PHE478A, PHE478B, PHE501A, PHE501B, PHE507A, PHE507B, PHE57A, PHE57B, PHE93A, PHE93B, PRO113A, PRO113B, PRO136A, PRO136B, PRO384A, PRO384B, PRO388A, PRO388B, PRO420A, PRO420B, PRO421A, PRO421B, PRO432A, PRO432B, PRO504A, PRO504B, PRO83A, PRO83B, PRO89A, PRO89B, SER144A, SER144B, SER367A, SER367B, SER398A, SER398B, SER434A, SER434B, SER450B, SER511A, SER511B, SER517A, SER517B, SER522A, SER522B, SER59A, SER59B, SER94A, SER94B, THR12A, THR12B, THR236A, THR236B, THR416A, THR416B, THR423A, THR423B, THR437A, THR437B, THR446A, THR446B, THR505A, THR505B, TRP111A, TRP111B, TRP16A, TRP16B, TYR110A, TYR110B, TYR370A, TYR370B, TYR382A, TYR382B, TYR387A, TYR387B, TYR395A, TYR395B, TYR440A, TYR440B, TYR472A, TYR472B, TYR480A, TYR480B, TYR61A, TYR61B, VAL119A, VAL119B, VAL120A, VAL120B, VAL125A, VAL125B, VAL126A, VAL126B, VAL397A, VAL397B, VAL429A, VAL429B, VAL483A, VAL483B, VAL491A, VAL521A, VAL521B, VAL88A, VAL88B