2OPK

crystal structure of a putative mannose-6-phosphate isomerase (reut_a1446) from ralstonia eutropha jmp134 at 2.10 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 115
  • Norm. En. per Res.: -4.9572
• 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	-99.5334	-42.8916	-427.65	-570.075	115	24	4	15282	2	53	53
A-C	0.0	9.487	-78.4669	-68.9799	50	1	4	3134	0	7	9
A-D	0.0	0.0	-0.134	-0.134	6	0	0	40	0	2	0
B-C	0.0	0.0	-0.8789	-0.8789	9	0	0	207	0	2	3
B-D	-3.9051	9.4571	-72.9222	-67.3702	46	0	4	2964	0	7	9
C-D	-110.6025	-4.8994	-425.456	-540.9579	110	17	4	14928	2	49	47

Interface residues

• A-B: ALA105A, ALA105B, ALA10A, ALA10B, ALA110A, ALA110B, ALA111B, ALA86A, ALA86B, ARG27A, ARG27B, ARG34A, ARG34B, ARG74A, ARG74B, ARG77A, ARG77B, ARG89A, ARG89B, ASN7A, ASN7B, ASP109A, ASP109B, ASP2A, ASP2A5, ASP2B, ASP53A, ASP53B, ASP70A, ASP70B, ASP80A, ASP80B, CB9.36268-2.01125, CYS108A, CYS108B, CYS67A, CYS67B, CYS88A, CYS88B, GLN22A, GLN22B, GLN52A, GLN52B, GLU26A, GLU26B, GLU33A, GLU33B, GLU54A, GLU54B, GLU66B, GLU68A, GLU68B, GLY29A, GLY29B, GLY69B, GLY6A, GLY6B, GLY79A, GLY79B, HIS107A, HIS107B, HIS5A, HIS5B, HIS83A, HIS83B, HIS90A, HIS90B, ILE32A, ILE32B, ILE65A, LEU104A, LEU104B, LEU24A, LEU24B, LEU25A, LEU25B, LEU30A, LEU30B, LEU82A, LEU82B, LEU8A, LEU8B, LYS28A, LYS28B, LYS31A, LYS31B, LYS4A, LYS4B, PHE9A, PHE9B, PRO23A, PRO23B, PRO3A, PRO3B, PRO78A, PRO78B, PRO85A, PRO85B, TRP55A, TRP55B, TRP81A, TRP81B, VAL102A, VAL102B, VAL106A, VAL106B, VAL56A, VAL56B, VAL58A, VAL58B, VAL59A, VAL59B, VAL75B, VAL84A, VAL84B
• A-C: ALA10A, ALA16A, ALA41C, ALA63C, ALA72C, ALA93C, ARG34A, ARG74C, ARG77A, ARG77C, ASN38A, ASN7A, ASP11A, ASP70C, ASP80C, ASP96A, ASP96C, GLU66C, GLU99A, GLU99C, GLY15A, GLY39C, GLY61A, GLY64C, GLY97A, GLY97C, GLY98A, GLY98C, ILE36A, ILE65C, LEU8A, PHE9A, PRO100A, PRO13A, PRO17A, PRO73C, PRO78A, PRO78C, SER60A, SER62A, SER62C, THR101A, THR71C, THR95C, TRP94C, VAL102A, VAL12A, VAL14A, VAL59A, VAL75C
• A-D: ALA10A, ALA10D, ASN7A, ASN7D, PHE9A, PHE9D
• B-C: ARG77B, ARG77C, GLY79B, GLY79C, PHE9C, PRO78B, PRO78C, VAL59B, VAL59C
• B-D: ALA10D, ALA16D, ALA41B, ALA63B, ALA72B, ALA93B, ARG34D, ARG74B, ARG77B, ARG77D, ASN38D, ASN7D, ASP11D, ASP80B, ASP96B, ASP96D, GLU66B, GLU99B, GLU99D, GLY15D, GLY39B, GLY61D, GLY64B, GLY97B, GLY98B, GLY98D, ILE36D, ILE65B, LEU8D, PHE9D, PRO100D, PRO13D, PRO73B, PRO78B, PRO78D, SER60D, SER62B, SER62D, THR71B, THR95B, TRP94B, VAL102D, VAL12D, VAL14D, VAL59D, VAL75B
• C-D: ALA105C, ALA105D, ALA10C, ALA10D, ALA110C, ALA110D, ALA111D, ALA86C, ALA86D, ARG27C, ARG27D, ARG34C, ARG34D, ARG74C, ARG74D, ARG77C, ARG77D, ARG89C, ASN7C, ASN7D, ASP109C, ASP109D, ASP2D, ASP53C, ASP53D, ASP70C, ASP70D, ASP80C, ASP80D, CYS108C, CYS108D, CYS67C, CYS67D, CYS88C, CYS88D, GLN22D, GLN52D, GLU26C, GLU26D, GLU33C, GLU33D, GLU54C, GLU54D, GLU66C, GLU68C, GLU68D, GLY29C, GLY29D, GLY69C, GLY6C, GLY6D, GLY79C, GLY79D, HIS107C, HIS107D, HIS5C, HIS5D, HIS83C, HIS83D, HIS90C, HIS90D, ILE32C, ILE32D, ILE65C, LEU104C, LEU104D, LEU24C, LEU24D, LEU25C, LEU25D, LEU30C, LEU30D, LEU82C, LEU82D, LEU8C, LEU8D, LYS28C, LYS28D, LYS31C, LYS31D, LYS4C, LYS4D, PHE9C, PHE9D, PRO23C, PRO23D, PRO3C, PRO3D, PRO78C, PRO78D, PRO85C, PRO85D, SER60D, TRP55C, TRP55D, TRP81C, TRP81D, VAL102C, VAL102D, VAL106C, VAL106D, VAL56C, VAL56D, VAL58C, VAL58D, VAL59C, VAL59D, VAL75C, VAL84C, VAL84D