2BES

structure of mycobacterium tuberculosis ribose-5-phosphate isomerase, rpib, rv2465c, in complex with 4-phospho-d- erythronohydroxamic acid.

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 187
  • Norm. En. per Res.: -4.8717
• 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	-125.9194	-170.0383	-588.913	-884.8706	182	21	19	23922	8	69	35
A-D	0.0	-4.6331	-0.1305	-4.7636	5	0	0	28	0	4	4
A-E	0.0	-13.5808	-5.1986	-18.7794	6	0	0	207	0	4	3
B-C	0.0	-4.2946	-0.0785	-4.3731	7	0	0	20	0	4	4
B-D	-13.7734	-9.8823	-79.0084	-102.6641	70	0	3	4165	2	26	25
B-E	-8.8301	22.8795	-14.372	-0.3225	12	4	0	584	0	13	6
C-D	-142.6926	-177.9122	-590.399	-911.0038	187	23	19	24135	9	71	32
D-E	-10.8175	-16.9351	-29.9654	-57.7179	23	1	1	1101	0	17	9

Interface residues

• A-B: ALA105A, ALA105B, ALA10B, ALA13A, ALA13B, ALA146A, ALA146B, ALA154A, ALA154B, ALA37A, ALA37B, ALA42A, ALA42B, ALA48A, ALA48B, ALA52A, ALA52B, ALA53A, ALA53B, ALA54A, ALA54B, ALA78A, ALA78B, ALA79A, ALA79B, ALA85A, ALA85B, ALA88A, ALA88B, ALA90A, ALA90B, ALA96A, ALA96B, ALA99A, ALA99B, ARG113A, ARG113B, ARG137A, ARG137B, ARG140A, ARG140B, ARG141A, ARG141B, ARG150A, ARG150B, ARG39A, ARG39B, ARG56A, ARG56B, ARG86A, ARG86B, ASN103A, ASN103B, ASN104A, ASN104B, ASN73A, ASN73B, ASN80A, ASN80B, ASP11A, ASP11B, ASP143A, ASP143B, ASP34A, ASP34B, ASP41A, ASP41B, ASP43A, ASP43B, ASP44A, ASP44B, ASP45A, ASP45B, CYS35A, CYS35B, CYS50A, CYS50B, CYS87A, CYS87B, GLN106A, GLN106B, GLN76A, GLN76B, GLN94A, GLN94B, GLU119A, GLU119B, GLU147A, GLU147B, GLU149A, GLU149B, GLU153A, GLU153B, GLU75A, GLU75B, GLY109A, GLY109B, GLY111A, GLY111B, GLY159A, GLY36A, GLY36B, GLY70A, GLY70B, GLY72A, GLY72B, GLY74A, GLY74B, GLY84A, GLY84B, GLY9A, GLY9B, HIS102A, HIS102B, HIS115A, HIS115B, HIS12A, HIS12B, HIS138A, HIS138B, HIS152A, HIS152B, ILE108A, ILE108B, ILE110A, ILE110B, ILE123A, ILE123B, ILE142A, ILE142B, ILE144A, ILE144B, ILE51A, ILE51B, ILE77A, ILE77B, LEU107A, LEU107B, LEU145A, LEU145B, LEU38A, LEU38B, LEU89A, LEU89B, LEU98A, LEU98B, LYS81A, LYS81B, MET114A, MET114B, PHE49A, PHE49B, PRO155A, PRO155B, PRO156A, PRO156B, PRO158A, PRO158B, PRO47A, PRO47B, PRO83A, PRO83B, SER71A, SER71B, SER92A, SER92B, THR55A, THR55B, THR95A, THR95B, TRP91A, TRP91B, TYR148A, TYR148B, TYR46A, TYR46B, VAL157A, VAL157B, VAL58A, VAL58B, VAL82A, VAL82B
• A-D: ARG5D, ASP60D, HIS152A, LYS81A, PRO61D
• A-E: ALA42A, ARG39E, ASP41A, ASP43A, ASP44A, ASP45A
• B-C: ALA59B, ARG5B, ASP60B, HIS152C, LYS81C, PRO61B, TYR148C
• B-D: ALA146B, ALA146D, ALA59B, ALA59D, ALA85B, ALA85D, ARG100D, ARG140B, ARG140D, ARG150B, ARG150D, ARG5B, ARG5D, ARG86B, ARG86D, ASN104B, ASN104D, ASP143B, ASP143D, ASP60B, ASP60D, GLN106B, GLN106D, GLN136B, GLN136D, GLN139B, GLN139D, GLU147B, GLU147D, GLU149B, GLU149D, GLU153B, GLU153D, GLU31D, GLY3B, GLY3D, GLY62B, GLY62D, GLY84B, GLY84D, HIS152B, HIS152D, HIS30B, HIS30D, ILE144B, ILE144D, LEU64B, LEU64D, LYS134B, LYS134D, MET4B, MET4D, PRO61B, PRO61D, PRO83B, PRO83D, SER2B, SER2D, SER63B, SER63D, THR151B, THR151D, THR55B, THR55D, TRP132B, TRP132D, VAL58B, VAL58D, VAL82B, VAL82D
• B-E: ALA42E, ARG137B, ARG140B, ARG141B, ARG39E, ASP41E, ASP43E, ASP44E, GLN136B, ILE144B, PRO158B, TYR40E
• C-D: ALA105C, ALA105D, ALA10C, ALA10D, ALA13C, ALA13D, ALA146C, ALA146D, ALA154C, ALA154D, ALA160C, ALA37C, ALA37D, ALA42C, ALA42D, ALA48C, ALA48D, ALA52C, ALA52D, ALA53C, ALA53D, ALA54C, ALA54D, ALA78C, ALA78D, ALA79C, ALA79D, ALA85C, ALA85D, ALA88C, ALA88D, ALA90C, ALA90D, ALA96C, ALA96D, ALA99C, ALA99D, ARG100C, ARG100D, ARG113C, ARG113D, ARG137C, ARG137D, ARG140C, ARG140D, ARG141C, ARG141D, ARG150C, ARG150D, ARG39C, ARG39D, ARG56C, ARG56D, ARG86C, ARG86D, ASN103C, ASN103D, ASN104C, ASN104D, ASN73C, ASN73D, ASN80C, ASN80D, ASP11C, ASP11D, ASP143C, ASP143D, ASP34C, ASP34D, ASP41C, ASP41D, ASP43C, ASP43D, ASP44C, ASP44D, ASP45C, ASP45D, CYS35C, CYS35D, CYS50C, CYS50D, CYS87C, CYS87D, GLN106C, GLN106D, GLN139C, GLN76C, GLN76D, GLN94C, GLN94D, GLU119C, GLU119D, GLU147C, GLU147D, GLU149C, GLU149D, GLU153C, GLU153D, GLU75C, GLU75D, GLY109C, GLY109D, GLY111C, GLY111D, GLY159C, GLY36C, GLY36D, GLY70C, GLY70D, GLY72C, GLY72D, GLY74C, GLY74D, GLY84C, GLY84D, GLY9C, GLY9D, HIS102C, HIS102D, HIS115C, HIS115D, HIS12C, HIS12D, HIS138C, HIS138D, HIS152C, HIS152D, ILE108C, ILE108D, ILE110C, ILE110D, ILE123C, ILE123D, ILE142C, ILE142D, ILE144C, ILE144D, ILE51C, ILE51D, ILE77C, ILE77D, LEU107C, LEU107D, LEU145C, LEU145D, LEU38C, LEU38D, LEU89C, LEU89D, LEU98C, LEU98D, LYS81C, LYS81D, MET114C, MET114D, PHE49C, PHE49D, PRO155C, PRO155D, PRO156C, PRO156D, PRO158C, PRO158D, PRO47C, PRO47D, PRO83C, PRO83D, SER71C, SER71D, SER92C, SER92D, THR55C, THR55D, THR95C, THR95D, TRP91C, TRP91D, TYR148C, TYR148D, TYR46C, TYR46D, VAL157C, VAL157D, VAL58C, VAL58D, VAL82C, VAL82D
• D-E: ALA135D, ALA13E, ALA42E, ARG113E, ARG137D, ARG20E, ASP41E, ASP43E, ASP44E, GLN136D, GLN139D, GLU101D, GLU16E, HIS102D, HIS12E, HIS138D, LYS134D, PRO131D, SER133D, SER2D, THR130D, TRP132D, TYR40E