3LHV

crystal structure of the mutant v182a.i199a.v201a of orotidine 5'- monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with inhibitor bmp

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 90
  • Norm. En. per Res.: -4.0273
• Hub Node: A(2)

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	-93.8628	-69.1386	-511.431	-674.4324	178	18	14	20392	8	48	41
A-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	2
B-C	-69.1023	-87.6731	-205.681	-362.4564	90	8	0	8341	10	65	55
B-D	0.0	0.0	-0.0175	-0.0175	3	0	0	6	0	2	3
C-D	-93.8436	-67.1537	-508.159	-669.1563	177	19	14	20298	8	49	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, ASN23A, 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, GLY202A, GLY202B, 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, VAL112B, VAL48A, VAL48B, VAL73A, VAL73B, VAL97B
• A-C: ASN23A, GLU115C
• B-C: ALA113B, ALA57B, ALA57C, ALA86C, ALA90B, ALA90C, ALA92B, ALA92C, ALA94B, ALA94C, ARG118B, ARG118C, ARG35B, ARG35C, ARG60B, ARG60C, ARG62B, ARG62C, ARG66B, ARG66C, ARG85B, ARG85C, ASN13C, ASN153B, ASN153C, ASP10B, ASP10C, ASP174B, ASP39B, ASP39C, ASP54B, ASP54C, ASP93B, ASP93C, CYS65B, CYS65C, GLU114B, GLU115B, GLU115C, GLU119B, GLU119C, GLU36B, GLU36C, GLU58B, GLU58C, GLY117B, GLY117C, GLY32C, GLY64B, GLY64C, GLY91B, GLY91C, ILE55C, ILE56B, ILE56C, ILE67B, ILE67C, LYS152B, LYS152C, LYS61B, LYS61C, LYS89B, LYS89C, MET116B, MET116C, MET12B, MET12C, MET53C, MET9B, MET9C, PHE121B, PHE176B, PHE176C, PHE59B, PHE59C, PHE63B, PHE63C, PHE88B, PHE88C, SER175B, THR40B, THR40C, THR87B, THR87C, VAL112B, VAL11B, VAL11C, VAL120B, VAL41B, VAL8C
• B-D: GLU115B, GLU51D, SER50D
• C-D: ALA103C, ALA103D, ALA131C, ALA131D, ALA138C, ALA138D, ALA139C, ALA139D, ALA143C, ALA143D, ALA184C, ALA184D, ALA18C, ALA18D, ALA69C, ALA69D, ALA74C, ALA74D, ALA86C, ALA86D, ALA90C, ALA90D, ARG107C, ARG144C, ARG144D, ARG160C, ARG160D, ARG203C, ARG203D, ARG85C, ARG85D, ASN23C, ASN23D, ASN80C, ASN80D, ASP104C, ASP104D, ASP140C, ASP140D, ASP148C, ASP148D, ASP20C, ASP20D, ASP54C, ASP54D, ASP70C, ASP70D, ASP75C, ASP75D, CYS84C, CYS84D, GLN136C, GLN136D, GLN185C, GLN185D, GLU125C, GLU125D, GLU132C, GLU132D, GLU141C, GLU141D, GLU51C, GLU51D, GLU78C, GLU78D, GLU81C, GLU81D, GLY102C, GLY102D, GLY130C, GLY130D, GLY137C, GLY137D, GLY146C, GLY146D, GLY181C, GLY181D, GLY202C, GLY44C, GLY44D, GLY52C, GLY52D, GLY99C, GLY99D, HIS128C, HIS128D, HIS98C, HIS98D, ILE135C, ILE135D, ILE142C, ILE142D, ILE56C, ILE56D, ILE76C, ILE76D, ILE83C, ILE83D, ILE95C, ILE95D, LEU122C, LEU122D, LEU123C, LEU123D, LEU149C, LEU149D, LEU207C, LEU207D, LEU21C, LEU21D, LEU47C, LEU47D, LEU49C, LEU49D, LYS42C, LYS42D, LYS72C, LYS72D, LYS82C, LYS82D, LYS89C, LYS89D, MET126C, MET126D, MET133C, MET133D, MET145C, MET145D, MET19C, MET22C, MET22D, MET53C, MET53D, PHE100C, PHE100D, PHE134C, PHE134D, PHE71C, PHE71D, PHE88C, PHE88D, PRO101C, PRO101D, PRO129C, PRO129D, PRO180C, PRO180D, PRO46C, PRO46D, PRO77C, PRO77D, SER105C, SER105D, SER127C, SER127D, SER50C, SER50D, THR124C, THR124D, THR159C, THR159D, THR79C, THR79D, THR87C, THR87D, TYR206C, TYR206D, TYR45C, TYR45D, VAL106C, VAL106D, VAL112D, VAL48C, VAL48D, VAL73C, VAL73D, VAL97D