3GZ2

crystal structure of ipgc in complex with an ipab peptide

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-P
  • Int. Res.: 45
  • Norm. En. per Res.: -2.4089
• 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	-18.0404	9.5133	-302.219	-310.7461	140	15	23	14788	0	20	23
B-P	-13.1091	-12.08	-83.2121	-108.4012	45	15	5	4160	0	8	7

Interface residues

• A-B: ALA14A, ALA14B, ALA18A, ALA18B, ALA23A, ALA23B, ALA30B, ALA43B, ALA55B, ALA77B, ALA89A, ALA89B, ALA90A, ALA90B, ALA94A, ALA94B, ALA96A, ALA96B, ALA98A, ALA98B, ARG51B, ARG60A, ARG60B, ASN102A, ASN20A, ASN20B, ASN29B, ASN69A, ASN69B, ASN8A, ASP103A, ASP17A, ASP17B, ASP27A, ASP34B, ASP37B, ASP38B, ASP45B, ASP66A, ASP66B, ASP91A, ASP91B, CYS126A, CYS63A, CYS63B, GLN114A, GLN85A, GLN85B, GLN87A, GLN87B, GLN88A, GLN88B, GLU125A, GLU53B, GLU54B, GLU56B, GLU9A, GLU9B, GLY100A, GLY111A, GLY22A, GLY22B, HIS133A, ILE11A, ILE11B, ILE16A, ILE16B, ILE19A, ILE19B, ILE28B, ILE31B, ILE39B, ILE64A, ILE64B, ILE73A, ILE73B, LEU117A, LEU129A, LEU25A, LEU25B, LEU62B, LEU76A, LEU76B, LEU92A, LEU92B, LEU99A, LEU99B, LYS101A, LYS101B, LYS122A, LYS26A, LYS26B, LYS49B, LYS83B, MET35B, MET36B, PHE108A, PHE46B, PHE58B, PHE59B, PHE61A, PHE61B, PHE67A, PHE67B, PHE97A, PHE97B, PRO106A, PRO32B, SER10A, SER10B, SER12A, SER12B, SER21A, SER21B, SER41B, THR110A, THR13A, THR13B, THR24A, THR24B, TYR104A, TYR40B, TYR42B, TYR65A, TYR65B, TYR68A, TYR68B, TYR72B, TYR80A, TYR80B, TYR93A, TYR93B, VAL107A, VAL15A, VAL15B, VAL57B, VAL70A, VAL70B, VAL95A, VAL95B
• B-P: ALA43B, ALA55B, ALA69P, ALA77B, ALA78B, ALA89B, ASN48B, ASP103B, ASP136B, ASP37B, ASP38B, ASP45B, ASP71B, CYS113B, GLN112B, GLN81B, GLU66P, GLY75B, HIS109B, ILE64P, ILE73B, ILE79B, ILE82B, LEU139B, LEU67P, LEU76B, LYS138B, LYS142B, LYS68P, MET74B, PHE108B, PHE59B, PRO106B, PRO65P, PRO70P, SER41B, THR105B, TYR146B, TYR40B, TYR42B, TYR44B, TYR47B, TYR72B, TYR93B, VAL70B