1PYD

catalytic centers in the thiamin diphosphate dependent enzyme pyruvate decarboxylase at 2.4 angstroms resolution

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 259
  • Norm. En. per Res.: -3.6664
• 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	-97.97	-20.024	-831.591	-949.585	259	40	18	31985	3	35	14

Interface residues

• A-B: ALA130A, ALA130B, ALA46A, ALA46B, ALA485A, ALA485B, ALA49A, ALA49B, ALA504A, ALA504B, ALA81A, ALA81B, ALA86A, ALA86B, ALA90A, ALA90B, ARG127A, ARG127B, ARG161A, ARG161B, ARG44A, ARG44B, ARG459A, ARG459B, ASN119A, ASN119B, ASN131A, ASN131B, ASN30A, ASN30B, ASN488A, ASN488B, ASN48A, ASN48B, ASN50A, ASN50B, ASN53A, ASN53B, ASN83A, ASN83B, ASP121A, ASP121B, ASP173A, ASP173B, ASP28A, ASP28B, ASP35A, ASP35B, ASP494A, ASP494B, GLN409A, GLN409B, GLN448A, GLN448B, GLN452A, GLN452B, GLN486A, GLN486B, GLN491A, GLN491B, GLN552B, GLU453A, GLU453B, GLU477A, GLU477B, GLU489A, GLU489B, GLU51A, GLU51B, GLU78A, GLU78B, GLU91A, GLU91B, GLY118A, GLY118B, GLY120B, GLY24A, GLY24B, GLY27A, GLY27B, GLY413A, GLY413B, GLY416A, GLY416B, GLY445A, GLY445B, GLY461A, GLY461B, GLY473A, GLY473B, GLY47A, GLY47B, GLY482A, GLY482B, GLY492A, GLY492B, GLY503A, GLY503B, GLY75A, GLY75B, GLY77A, GLY77B, GLY84A, GLY84B, GLY87A, GLY87B, HIS114A, HIS114B, HIS115A, HIS115B, HIS126A, HIS126B, HIS481A, HIS481B, HIS495A, HIS495B, HIS92A, HIS92B, ILE132A, ILE132B, ILE37A, ILE37B, ILE415A, ILE415B, ILE454A, ILE454B, ILE458A, ILE458B, ILE476A, ILE476B, ILE480A, ILE480B, ILE490A, ILE490B, ILE533A, ILE85A, ILE85B, LEU117A, LEU117B, LEU25A, LEU25B, LEU288A, LEU288B, LEU289B, LEU31A, LEU31B, LEU33A, LEU33B, LEU34A, LEU34B, LEU411A, LEU411B, LEU447A, LEU447B, LEU449A, LEU449B, LEU496A, LEU496B, LEU498A, LEU498B, LEU499A, LEU499B, LEU52A, LEU52B, LEU79A, LEU79B, LEU82A, LEU82B, LYS36A, LYS36B, LYS478A, LYS478B, LYS484A, LYS505A, LYS505B, MET128A, MET128B, MET247A, MET457A, MET457B, PHE125A, PHE125B, PHE29A, PHE29B, PHE393A, PHE393B, PHE417A, PHE417B, PHE427A, PHE427B, PHE502A, PHE502B, PHE74A, PHE74B, PRO26A, PRO26B, PRO500A, PRO500B, SER129A, SER129B, SER133A, SER133B, SER290A, SER290B, SER32A, SER32B, SER414A, SER414B, SER446A, SER446B, SER455A, SER455B, SER497A, SER497B, SER80A, SER80B, SER88A, SER88B, THR116A, THR116B, THR123A, THR388A, THR388B, THR419B, THR450A, THR450B, THR456A, THR456B, THR501A, THR501B, THR556B, THR73A, THR73B, TRP412A, TRP412B, TRP45A, TRP45B, TRP460A, TRP460B, TRP493A, TRP493B, TYR38A, TYR38B, TYR474A, TYR474B, TYR487A, TYR487B, TYR56A, TYR56B, TYR89A, TYR89B, VAL124A, VAL124B, VAL410A, VAL410B, VAL451A, VAL451B, VAL76A, VAL76B