3LI1

crystal structure of the mutant i218a of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with inhibitor bmp

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 175
  • Norm. En. per Res.: -3.8351
• 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	-88.7336	-72.9448	-509.456	-671.1344	175	18	15	20257	8	48	41

Interface residues

• A-B: ALA103A, ALA103B, ALA131A, ALA131B, ALA138A, ALA138B, ALA139A, ALA139B, ALA143A, ALA143B, ALA184A, ALA184B, ALA18A, ALA18B, ALA69A, ALA69B, ALA74A, ALA74B, ALA86A, ALA86B, ALA90A, ALA90B, ARG107A, ARG144A, ARG144B, ARG160A, ARG160B, ARG203A, ARG203B, ARG85A, ARG85B, ASN23B, ASN80A, ASN80B, ASP104A, ASP104B, ASP140A, ASP140B, ASP148A, ASP148B, ASP20A, ASP20B, ASP54A, ASP54B, ASP70A, ASP70B, ASP75A, ASP75B, CYS84A, CYS84B, GLN136A, GLN136B, GLN185A, GLN185B, GLU125A, GLU125B, GLU132A, GLU132B, GLU141A, GLU141B, GLU51A, GLU51B, GLU78A, GLU78B, GLU81A, GLU81B, GLY102A, GLY102B, GLY130A, GLY130B, GLY137A, GLY137B, GLY146A, GLY146B, GLY181A, GLY181B, GLY44A, GLY44B, GLY52A, GLY52B, GLY99A, GLY99B, HIS128A, HIS128B, HIS98A, HIS98B, ILE135A, ILE135B, ILE142A, ILE142B, ILE56A, ILE56B, ILE76A, ILE76B, ILE83A, ILE83B, ILE95A, ILE95B, LEU122A, LEU122B, LEU123A, LEU123B, LEU149A, LEU149B, LEU207A, LEU207B, LEU21A, LEU21B, LEU47A, LEU47B, LEU49A, LEU49B, LYS42A, LYS42B, LYS72A, LYS72B, LYS82A, LYS82B, LYS89A, LYS89B, MET126A, MET126B, MET133A, MET133B, MET145A, MET145B, MET19A, MET19B, MET22A, MET22B, MET53A, MET53B, PHE100A, PHE100B, PHE134A, PHE134B, PHE71A, PHE71B, PHE88A, PHE88B, PRO101A, PRO101B, PRO129A, PRO129B, PRO180A, PRO180B, PRO46A, PRO46B, PRO77A, PRO77B, SER105A, SER105B, SER127A, SER127B, SER50A, SER50B, THR124A, THR124B, THR159A, THR159B, THR79A, THR79B, THR87A, THR87B, TYR206A, TYR206B, TYR45A, TYR45B, VAL106A, VAL106B, VAL48A, VAL48B, VAL73A, VAL73B, VAL97B