1XPJ

crystal structure of mcsg target apc26283 from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 133
  • Norm. En. per Res.: -6.3004
• 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	-24.9379	-17.5398	-146.594	-189.0718	60	4	4	6022	0	12	9
A-C	0.0	6.7634	-0.1169	6.6465	6	0	0	24	0	4	1
A-D	-208.9459	28.0948	-551.982	-732.8331	136	25	22	22270	2	74	78
B-C	-238.9281	4.6684	-603.7	-837.9597	133	28	23	23181	7	73	80
B-D	0.0	6.7358	-0.124	6.6118	9	0	0	25	0	4	1
C-D	-38.9349	-15.5347	-141.137	-195.6066	57	5	4	5987	0	12	9

Interface residues

• A-B: ASN57A, ASN57B, ASN62A, ASN62B, ASP74A, ASP74B, ASP81A, ASP81B, GLU42A, GLU42B, GLU82A, GLU82B, GLY59A, GLY59B, GLY86A, GLY86B, HIS64A, HIS64B, ILE43A, ILE43B, ILE45A, ILE45B, ILE61A, ILE61B, ILE63A, ILE63B, ILE69A, ILE69B, ILE83A, ILE83B, LEU66A, LEU66B, LEU73A, LEU73B, LEU84A, LEU84B, LYS3A, LYS3B, LYS60A, LYS60B, PRO67A, PRO67B, SER46A, SER46B, THR47A, THR47B, THR65A, THR65B, THR70A, THR70B, TYR54A, TYR54B, TYR80A, TYR80B, VAL44A, VAL44B, VAL58A, VAL58B, VAL85A, VAL85B
• A-C: ASN57A, ASN57C, GLU55A, GLU55C, GLY56A, GLY56C
• A-D: ALA101A, ALA101D, ALA108A, ALA108D, ALA15A, ALA15D, ALA48A, ALA48D, ARG100A, ARG100D, ARG103A, ARG103D, ARG26A, ARG26D, ARG52A, ARG52D, ASN111A, ASN111D, ASN16D, ASP7A, ASP7D, ASP93A, ASP93D, ASP98A, ASP98D, ASP99A, ASP99D, ASP9A, ASP9D, CYS90A, CYS90D, GLN14A, GLN14D, GLN32A, GLN32D, GLU106A, GLU106D, GLU120A, GLU120D, GLU122A, GLU122D, GLU42A, GLU42D, GLU82A, GLU82D, GLY10A, GLY10D, GLY86A, GLY86D, GLY91A, GLY91D, GLY94A, GLY94D, HIS116A, HIS116D, HIS92A, HIS92D, ILE115A, ILE115D, ILE43A, ILE43D, ILE45A, ILE45D, ILE5A, ILE5D, ILE97A, ILE97D, LEU112A, LEU112D, LEU118A, LEU118D, LEU12A, LEU12D, LEU33A, LEU33D, LEU4A, LEU4D, LEU84A, LEU84D, LEU8A, LEU8D, LYS121A, LYS121D, LYS123A, LYS123D, LYS2A, LYS2D, LYS3A, LYS3D, LYS87A, LYS87D, MET110A, MET110D, MET1A, MET1D, MET51A, MET51D, PHE107A, PHE107D, PHE119A, PHE119D, PHE41A, PHE41D, PHE95A, PHE95D, PRO104A, PRO104D, PRO88A, PRO88D, SER105A, SER105D, SER109A, SER109D, SER124A, SER46A, SER46D, THR11A, THR11D, THR13A, THR13D, THR47A, THR47D, TRP89A, TRP89D, TYR36A, TYR36D, TYR96A, TYR96D, VAL102A, VAL102D, VAL29A, VAL29D, VAL44A, VAL44D, VAL6A, VAL6D
• B-C: ALA101B, ALA101C, ALA108B, ALA108C, ALA15B, ALA15C, ALA48B, ALA48C, ARG100B, ARG100C, ARG103B, ARG103C, ARG26B, ARG26C, ARG52B, ARG52C, ASN111B, ASN111C, ASN16B, ASN16C, ASP7B, ASP7C, ASP93B, ASP93C, ASP98B, ASP98C, ASP99B, ASP99C, ASP9B, ASP9C, CYS90B, CYS90C, GLN14B, GLN14C, GLN32B, GLN32C, GLU106B, GLU106C, GLU120B, GLU120C, GLU122B, GLU122C, GLU42B, GLU42C, GLU82B, GLU82C, GLY10B, GLY10C, GLY86B, GLY86C, GLY91B, GLY91C, GLY94B, GLY94C, HIS116B, HIS116C, HIS92B, HIS92C, ILE115B, ILE115C, ILE43B, ILE43C, ILE45B, ILE45C, ILE5B, ILE5C, ILE97B, ILE97C, LEU112B, LEU112C, LEU118B, LEU118C, LEU12B, LEU12C, LEU33B, LEU33C, LEU4B, LEU4C, LEU84B, LEU84C, LEU8B, LEU8C, LYS121B, LYS121C, LYS123B, LYS123C, LYS2B, LYS2C, LYS3B, LYS3C, LYS87B, LYS87C, MET110B, MET110C, MET1B, MET1C, MET51B, PHE107B, PHE107C, PHE119B, PHE119C, PHE41B, PHE41C, PHE95B, PHE95C, PRO104B, PRO104C, PRO88B, PRO88C, SER105B, SER105C, SER46B, SER46C, THR11B, THR11C, THR13B, THR13C, THR47B, THR47C, TRP89B, TRP89C, TYR36B, TYR36C, TYR96B, TYR96C, VAL102B, VAL102C, VAL29B, VAL29C, VAL44B, VAL44C, VAL6B, VAL6C
• B-D: ASN57B, ASN57D, GLU55B, GLU55D, GLY56B, GLY56D, GLY59D, MET51D, PRO88B
• C-D: ASN57C, ASN57D, ASN62C, ASN62D, ASP74C, ASP74D, ASP81C, ASP81D, GLU42C, GLU42D, GLU82C, GLU82D, GLY59C, GLY59D, GLY86C, GLY86D, HIS64C, HIS64D, ILE43C, ILE43D, ILE45C, ILE45D, ILE61C, ILE61D, ILE63C, ILE63D, ILE69C, ILE69D, ILE83C, ILE83D, LEU66C, LEU66D, LEU73C, LEU73D, LEU84C, LEU84D, LYS3C, LYS3D, LYS60C, LYS60D, PRO67C, PRO67D, THR47C, THR47D, THR65C, THR70C, THR70D, TYR54C, TYR54D, TYR80C, TYR80D, VAL44C, VAL44D, VAL58C, VAL58D, VAL85C, VAL85D