2Q01

crystal structure of glucuronate isomerase from caulobacter crescentus

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 175
  • Norm. En. per Res.: -4.8414
• 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	-117.0928	-153.7761	-576.384	-847.2529	175	27	3	21196	15	88	81
A-C	-95.5957	-129.9794	-569.437	-795.0121	177	25	3	21078	14	87	80
B-C	-95.1692	-121.9262	-583.648	-800.7434	174	23	3	21218	12	87	82

Interface residues

• A-B: ALA18A, ALA18B, ALA328B, ALA339A, ALA370A, ALA373A, ALA405A, ALA436B, ALA439A, ALA443A, ALA452A, ARG109B, ARG11B, ARG20A, ARG20B, ARG24B, ARG312B, ARG333A, ARG333B, ARG346A, ARG367A, ARG367B, ARG396A, ARG396B, ARG398A, ARG3B, ARG432B, ARG440A, ARG446A, ARG69B, ASN118B, ASN313B, ASN315B, ASN320B, ASN349A, ASN409A, ASP10B, ASP16A, ASP16B, ASP329B, ASP338A, ASP361A, ASP361B, ASP389B, ASP448A, ASP458A, GLN400A, GLN400B, GLN74B, GLU132B, GLU335A, GLU362A, GLU362B, GLU368A, GLU392B, GLU399A, GLU403A, GLU444A, GLU451A, GLU453A, GLU454A, GLU9B, GLY110B, GLY309B, GLY317B, GLY327B, GLY348A, GLY374A, GLY393B, GLY406A, GLY75B, HIS104B, HIS311B, HIS314B, HIS375A, HIS388B, HIS445A, HIS65B, HIS8B, ILE330B, ILE456A, LEU107B, LEU12B, LEU318B, LEU319B, LEU340A, LEU344A, LEU360B, LEU369A, LEU372A, LEU379A, LEU438A, LEU449A, LEU455A, LEU463A, LEU5B, LEU71B, LEU78B, LYS326B, LYS341A, LYS380A, LYS466A, MET332B, MET394B, MET395A, MET395B, MET441A, MET447A, MET70B, PHE105B, PHE108B, PHE130B, PHE13B, PHE387B, PHE397A, PHE407A, PHE437A, PHE68B, PHE7B, PRO112B, PRO14A, PRO14B, PRO17A, PRO17B, PRO331B, PRO342A, PRO351A, PRO371A, PRO377A, PRO391B, PRO4B, SER113B, SER15B, SER310B, SER321B, SER366A, SER390B, SER6B, SER73B, SER77B, THR111B, THR19A, THR334A, THR334B, THR345A, THR359B, THR363A, THR363B, THR364A, THR364B, THR402A, THR404A, THR410A, TRP114B, TRP116B, TRP386B, TYR106B, TYR22A, TYR336A, TYR365A, TYR365B, TYR376A, TYR408A, TYR66B, TYR72B, VAL115B, VAL316B, VAL337A, VAL378A, VAL401A, VAL429B, VAL433B, VAL442A, VAL450A, VAL76B
• A-C: 3112CB8.1396, 6112CB9.9005, ALA18A, ALA18C, ALA328A, ALA339C, ALA370C, ALA373C, ALA405C, ALA436A, ALA439C, ALA443C, ALA452C, ARG109A, ARG11A, ARG20A, ARG20C, ARG24A, ARG312A, ARG333A, ARG333C, ARG346C, ARG367A, ARG367C, ARG396A, ARG396C, ARG398C, ARG3A, ARG3A5, ARG432A, ARG440C, ARG446C, ARG69A, ASN118A, ASN313A, ASN315A, ASN320A, ASN349C, ASN409C, ASP10A, ASP16A, ASP16C, ASP329A, ASP338C, ASP350C, ASP361A, ASP361C, ASP389A, ASP448C, ASP458C, GLN400A, GLN400C, GLN74A, GLU132A, GLU335C, GLU362A, GLU362C, GLU368C, GLU392A, GLU399C, GLU403C, GLU444C, GLU451C, GLU453C, GLU454C, GLU9A, GLY110A, GLY309A, GLY317A, GLY327A, GLY348C, GLY374C, GLY393A, GLY406C, GLY75A, HIS311A, HIS314A, HIS375C, HIS388A, HIS445C, HIS65A, HIS8A, ILE330A, ILE456C, LEU107A, LEU12A, LEU318A, LEU319A, LEU340C, LEU344C, LEU360A, LEU369C, LEU372C, LEU379C, LEU438C, LEU449C, LEU455C, LEU463C, LEU5A, LEU71A, LEU78A, LYS326A, LYS341C, LYS380C, LYS466C, MET332A, MET394A, MET395A, MET395C, MET441C, MET447C, MET70A, PHE105A, PHE108A, PHE130A, PHE13A, PHE387A, PHE397C, PHE407C, PHE437C, PHE68A, PHE7A, PRO112A, PRO14A, PRO14C, PRO17A, PRO17C, PRO331A, PRO342C, PRO351C, PRO371C, PRO377C, PRO391A, PRO4A, SER113A, SER15A, SER310A, SER321A, SER366C, SER390A, SER6A, SER73A, SER77A, THR111A, THR19C, THR334A, THR334C, THR345C, THR359A, THR363A, THR363C, THR364A, THR364C, THR402C, THR404C, THR410C, TRP114A, TRP116A, TRP386A, TYR106A, TYR22C, TYR336C, TYR365C, TYR376C, TYR408C, TYR66A, TYR72A, VAL115A, VAL316A, VAL337C, VAL378C, VAL401C, VAL429A, VAL433A, VAL442C, VAL450C, VAL76A
• B-C: ALA18B, ALA18C, ALA328C, ALA339B, ALA370B, ALA373B, ALA405B, ALA436C, ALA439B, ALA443B, ALA452B, ARG109C, ARG11C, ARG20B, ARG20C, ARG24C, ARG312C, ARG333B, ARG333C, ARG346B, ARG367B, ARG367C, ARG396B, ARG396C, ARG398B, ARG3C, ARG432C, ARG440B, ARG446B, ARG69C, ASN118C, ASN313C, ASN315C, ASN320C, ASN349B, ASN409B, ASP10C, ASP16B, ASP16C, ASP329C, ASP338B, ASP350B, ASP361B, ASP361C, ASP389C, ASP448B, ASP458B, GLN400B, GLN400C, GLN74C, GLU132C, GLU335B, GLU362B, GLU362C, GLU368B, GLU392C, GLU399B, GLU403B, GLU444B, GLU451B, GLU453B, GLU454B, GLU9C, GLY110C, GLY309C, GLY317C, GLY327C, GLY348B, GLY374B, GLY393C, GLY406B, GLY75C, HIS104C, HIS311C, HIS314C, HIS375B, HIS388C, HIS445B, HIS65C, HIS8C, ILE330C, ILE456B, LEU107C, LEU12C, LEU318C, LEU319C, LEU340B, LEU344B, LEU360C, LEU369B, LEU372B, LEU379B, LEU438B, LEU449B, LEU455B, LEU463B, LEU5C, LEU71C, LEU78C, LYS326C, LYS341B, LYS380B, LYS466B, MET332C, MET394C, MET395B, MET395C, MET441B, MET447B, MET70C, PHE105C, PHE108C, PHE130C, PHE13C, PHE387C, PHE397B, PHE407B, PHE437B, PHE68C, PHE7C, PRO112C, PRO14B, PRO14C, PRO17B, PRO17C, PRO331C, PRO342B, PRO351B, PRO371B, PRO377B, PRO391C, PRO4C, SER113C, SER15C, SER310C, SER366B, SER390C, SER6C, SER73C, SER77C, THR111C, THR19B, THR334B, THR334C, THR345B, THR359C, THR363B, THR363C, THR364B, THR364C, THR402B, THR404B, THR410B, TRP114C, TRP116C, TRP386C, TYR106C, TYR22B, TYR336B, TYR365B, TYR376B, TYR408B, TYR66C, TYR72C, VAL115C, VAL316C, VAL337B, VAL378B, VAL401B, VAL429C, VAL433C, VAL442B, VAL450B, VAL76C