1RPN

crystal structure of gdp-d-mannose 4,6-dehydratase in complexes with gdp and nadph

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 126
  • Norm. En. per Res.: -3.66
• 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	-16.7228	-53.4307	-390.355	-460.5085	126	22	14	16124	2	6	15
A-C	-9.6344	-3.074	-112.549	-125.2574	50	11	1	3892	7	14	15
A-D	-79.6384	-8.4683	-387.008	-475.1147	136	22	5	13521	2	55	61
B-C	-78.5411	-9.1136	-371.688	-459.3427	134	29	5	13537	2	54	61
B-D	-28.0214	-0.7856	-99.3409	-128.1479	51	17	1	3815	6	14	15
C-D	-15.0316	-53.1563	-392.966	-461.1539	126	23	14	16173	2	6	15

Interface residues

• A-B: ALA153A, ALA153B, ALA281A, ALA281B, ALA61A, ALA61B, ALA63A, ALA63B, ARG113A, ARG113B, ARG147A, ARG147B, ARG165A, ARG165B, ARG279A, ARG279B, ASN141A, ASN141B, ASN163A, ASN163B, ASN92A, ASN92B, ASP101A, ASP101B, ASP241A, ASP241B, GLN114A, GLN114B, GLN134A, GLN134B, GLN93A, GLN93B, GLU110A, GLU110B, GLU166A, GLU166B, GLU282A, GLU282B, GLY102A, GLY102B, GLY104A, GLY104B, GLY151A, GLY151B, GLY157A, GLY157B, GLY169A, GLY169B, GLY98A, GLY98B, HIS107A, HIS107B, HIS158A, HIS158B, ILE160A, ILE160B, LEU103A, LEU103B, LEU108A, LEU108B, LEU109A, LEU109B, LEU132A, LEU132B, LEU155A, LEU155B, LYS154A, LYS154B, MET129A, MET129B, PHE144A, PHE144B, PHE168A, PHE168B, PRO143A, PRO143B, PRO146A, PRO146B, PRO149A, PRO149B, PRO280A, PRO280B, PRO94A, PRO94B, SER148A, SER148B, SER167A, SER167B, SER90A, SER90B, THR106A, THR106B, THR142A, THR142B, THR161A, THR161B, THR96A, THR96B, THR97A, THR97B, TRP159A, TRP159B, TRP91A, TRP91B, TYR145A, TYR145B, TYR150A, TYR150B, TYR156A, TYR156B, TYR164A, TYR164B, VAL100A, VAL100B, VAL105A, VAL105B, VAL152A, VAL152B, VAL162A, VAL162B, VAL87A, VAL87B, VAL95A, VAL95B, VAL99A, VAL99B
• A-C: ALA111A, ALA111C, ALA61A, ALA61C, ALA63A, ALA63C, ALA69A, ALA69C, ARG113A, ARG113C, ARG68A, ARG68C, ASP62A, ASP62C, CYS64A, CYS64C, GLN114A, GLN114C, GLN67A, GLN67C, GLU110A, GLU110C, HIS107A, HIS107C, ILE71A, ILE71C, LEU103A, LEU103C, LEU108A, LEU108C, LEU109A, LEU109C, LEU170A, LYS72A, LYS72C, PHE115A, PHE115C, PHE168A, PHE168C, SER65A, SER65C, THR106A, THR106C, TYR164A, TYR164C, VAL105C, VAL66A, VAL66C, VAL70A, VAL70C
• A-D: ALA34A, ALA34D, ALA61A, ALA61D, ALA63A, ALA63D, ALA69A, ALA69D, ALA82A, ALA82D, ALA83A, ALA83D, ALA89A, ALA89D, ARG185A, ARG185D, ARG192A, ARG192D, ARG200A, ARG200D, ARG322A, ARG322D, ARG35A, ARG35D, ARG36A, ARG36D, ARG41A, ARG41D, ARG43A, ARG43D, ARG45A, ARG45D, ARG68A, ARG68D, ASN92A, ASN92D, ASP101A, ASP101D, ASP14A, ASP14D, ASP196A, ASP196D, ASP39A, ASP39D, ASP57A, ASP57D, ASP59A, ASP59D, ASP62A, ASP62D, CYS64A, CYS64D, GLN13A, GLN13D, GLN84A, GLN84D, GLN93A, GLN93D, GLU188A, GLU188D, GLU323A, GLU323D, GLU56A, GLU56D, GLY12A, GLY12D, GLY186A, GLY186D, GLY58A, GLY58D, GLY88A, GLY88D, GLY98A, GLY98D, GLY9A, GLY9D, HIS107A, HIS107D, ILE10A, ILE10D, ILE187A, ILE187D, LEU184A, LEU184D, LEU32A, LEU32D, LEU81A, LEU81D, LYS72A, LYS72D, MET60A, MET60D, PHE189A, PHE189D, PHE86A, PHE86D, PRO149A, PRO149D, PRO94A, PRO94D, SER37A, SER37D, SER38A, SER38D, SER65A, SER65D, SER85A, SER85D, SER90A, SER90D, THR11A, THR11D, THR40A, THR40D, THR96A, THR96D, THR97A, THR97D, TRP42A, TRP42D, TRP91A, TRP91D, TYR150A, TYR150D, VAL100A, VAL100D, VAL33A, VAL33D, VAL66A, VAL66D, VAL87A, VAL87D, VAL95A, VAL95D, VAL99A, VAL99D
• B-C: ALA34B, ALA34C, ALA61B, ALA61C, ALA63B, ALA63C, ALA69B, ALA69C, ALA82B, ALA82C, ALA83B, ALA83C, ALA89B, ALA89C, ARG185B, ARG185C, ARG192B, ARG192C, ARG200B, ARG200C, ARG322B, ARG322C, ARG35B, ARG35C, ARG36B, ARG36C, ARG41B, ARG41C, ARG43B, ARG43C, ARG45B, ARG45C, ARG68B, ARG68C, ASN92B, ASN92C, ASP101B, ASP101C, ASP14B, ASP14C, ASP196B, ASP196C, ASP39B, ASP39C, ASP57B, ASP57C, ASP59B, ASP59C, ASP62B, ASP62C, CYS64B, CYS64C, GLN13B, GLN13C, GLN84B, GLN84C, GLN93B, GLN93C, GLU188B, GLU188C, GLU323B, GLU323C, GLU56B, GLU56C, GLY12B, GLY12C, GLY186B, GLY186C, GLY58B, GLY58C, GLY88B, GLY88C, GLY98B, GLY98C, GLY9B, GLY9C, HIS107B, HIS107C, ILE187B, ILE187C, LEU184B, LEU184C, LEU32B, LEU32C, LEU81B, LEU81C, LYS72B, LYS72C, MET60B, MET60C, PHE189B, PHE189C, PHE86B, PHE86C, PRO149B, PRO149C, PRO94B, PRO94C, SER37B, SER37C, SER38B, SER38C, SER65B, SER65C, SER85B, SER85C, SER90B, SER90C, THR11B, THR11C, THR40B, THR40C, THR96B, THR96C, THR97B, THR97C, TRP42B, TRP42C, TRP91B, TRP91C, TYR150B, TYR150C, VAL100B, VAL100C, VAL33B, VAL33C, VAL66B, VAL66C, VAL87B, VAL87C, VAL95B, VAL95C, VAL99B, VAL99C
• B-D: ALA111B, ALA111D, ALA61B, ALA61D, ALA63B, ALA63D, ALA69B, ALA69D, ARG113B, ARG113D, ARG68B, ARG68D, ASP62B, ASP62D, CYS64B, CYS64D, GLN114B, GLN114D, GLN67B, GLN67D, GLU110B, GLU110D, HIS107B, HIS107D, ILE71B, ILE71D, LEU103B, LEU103D, LEU108B, LEU108D, LEU109B, LEU109D, LEU170B, LEU170D, LYS72B, LYS72D, PHE115B, PHE115D, PHE168B, PHE168D, SER65B, SER65D, THR106B, THR106D, TYR164B, TYR164D, VAL105B, VAL66B, VAL66D, VAL70B, VAL70D
• C-D: ALA153C, ALA153D, ALA281C, ALA281D, ALA61C, ALA61D, ALA63C, ALA63D, ARG113C, ARG113D, ARG147C, ARG147D, ARG165C, ARG165D, ARG279C, ARG279D, ASN141C, ASN141D, ASN163C, ASN163D, ASN92C, ASN92D, ASP101C, ASP101D, ASP241C, ASP241D, GLN114C, GLN114D, GLN134C, GLN134D, GLN93C, GLN93D, GLU110C, GLU110D, GLU166C, GLU166D, GLU282C, GLU282D, GLY102C, GLY102D, GLY104C, GLY104D, GLY131C, GLY151C, GLY151D, GLY157C, GLY157D, GLY169C, GLY169D, GLY98C, GLY98D, HIS107C, HIS107D, HIS158C, HIS158D, ILE160C, ILE160D, LEU103C, LEU103D, LEU108D, LEU109C, LEU109D, LEU132C, LEU132D, LEU155C, LEU155D, LYS154C, LYS154D, MET129C, MET129D, PHE144C, PHE144D, PHE168C, PHE168D, PRO143C, PRO143D, PRO146C, PRO146D, PRO149C, PRO149D, PRO280C, PRO280D, PRO94C, PRO94D, SER148C, SER148D, SER167C, SER167D, SER90C, SER90D, THR106C, THR106D, THR142C, THR142D, THR161C, THR161D, THR96C, THR96D, THR97C, THR97D, TRP159C, TRP159D, TRP91C, TRP91D, TYR145C, TYR145D, TYR150C, TYR150D, TYR156C, TYR156D, TYR164C, TYR164D, VAL100C, VAL100D, VAL105C, VAL105D, VAL152C, VAL152D, VAL162C, VAL162D, VAL87C, VAL87D, VAL95C, VAL95D, VAL99C, VAL99D