3RRL

complex structure of 3-oxoadipate coa-transferase subunit a and b from helicobacter pylori 26695

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 147
  • Norm. En. per Res.: -5.1036
• Hub Node: A(3)

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	-92.5157	-135.1363	-532.411	-760.0629	150	24	5	20117	6	52	30
A-C	-91.5397	-54.4624	-225.222	-371.2241	88	12	10	8692	9	40	28
A-D	-31.2817	0.0	-167.235	-198.5167	76	8	3	6353	0	4	12
B-C	-19.5611	0.0	-167.109	-186.6701	73	8	3	6261	0	5	12
B-D	0.0	0.0	-0.0202	-0.0202	4	0	0	6	0	0	1
C-D	-85.0432	-131.9346	-533.255	-750.2327	147	21	6	20276	6	48	30

Interface residues

• A-B: ALA104A, ALA109A, ALA110B, ALA125B, ALA171A, ALA51B, ALA60B, ALA65B, ALA75A, ALA82B, ALA86B, ARG168A, ARG172A, ARG222A, ARG229A, ARG89B, ASN106A, ASN111B, ASN173A, ASN175A, ASN44B, ASN52A, ASN53A, ASN64B, ASN80B, ASN81A, ASP108B, ASP127B, ASP59B, ASP61B, ASP83B, CYS178A, CYS29A, GLN100A, GLU105A, GLU140A, GLU144A, GLU190A, GLU220A, GLU224A, GLU43B, GLU55B, GLU68B, GLU80A, GLU85A, GLY101A, GLY121B, GLY122A, GLY123B, GLY124A, GLY124B, GLY131B, GLY160B, GLY25A, GLY27A, GLY30A, GLY45B, GLY50B, GLY55A, GLY56B, GLY66B, GLY79A, GLY90B, GLY91B, HIS108A, HIS130B, HIS204A, ILE119B, ILE127A, ILE223A, ILE226A, ILE23B, ILE31A, ILE49B, ILE63B, ILE70B, ILE88B, LEU103A, LEU107A, LEU109B, LEU118B, LEU126A, LEU128B, LEU156B, LEU158B, LEU177A, LEU205A, LEU28A, LEU46B, LEU47B, LEU54B, LEU62B, LEU89A, LEU97A, LYS116B, LYS117B, LYS120B, LYS139A, LYS155A, LYS161B, LYS169A, LYS221A, LYS225A, LYS67B, PHE167A, PHE174A, PHE26A, PHE78B, PHE79B, PHE84A, PHE85B, PRO115B, PRO120A, PRO157B, PRO176A, PRO53B, PRO99A, SER230A, SER42B, SER57B, SER76A, SER77B, SER81B, SER84B, THR102A, THR119A, THR121A, THR125A, THR159B, THR170A, THR227A, THR228A, THR69B, THR71B, THR98A, TRP112B, TYR117A, TYR118A, TYR141A, TYR157A, TYR52B, TYR77A, VAL123A, VAL129B, VAL163B, VAL56A, VAL58B, VAL72B, VAL78A, VAL95A
• A-C: ALA109A, ALA109C, ALA112A, ALA112C, ALA116A, ALA116C, ALA146A, ALA146C, ALA171A, ALA171C, ARG134A, ARG134C, ARG145A, ARG145C, ARG168A, ARG168C, ARG172A, ARG172C, ASN137A, ASN137C, ASP199A, ASP199C, ASP201A, ASP201C, GLU105A, GLU105C, GLU132A, GLU132C, GLU135A, GLU135C, GLU140A, GLU140C, GLU144A, GLU144C, GLU202A, GLU202C, GLY101A, GLY101C, GLY113A, GLY113C, GLY138A, HIS108A, HIS108C, HIS204A, HIS204C, ILE114A, ILE114C, ILE142A, ILE142C, ILE203A, ILE203C, LEU143A, LEU143C, LYS131A, LYS139A, LYS139C, LYS169A, LYS169C, PHE136A, PHE136C, PHE167A, PHE167C, PRO115A, PRO115C, PRO120A, PRO120C, PRO200A, PRO200C, PRO206A, PRO206C, THR102A, THR102C, THR119A, THR119C, THR121A, THR121C, THR170A, THR170C, TYR117A, TYR117C, TYR118A, TYR118C, TYR141A, TYR141C, TYR157A, TYR157C, VAL166A, VAL166C
• A-D: ALA109A, ALA112A, ALA179A, ALA181A, ALA182A, ALA195A, ALA76D, ALA82D, ALA86D, ARG89D, ASN164A, ASN2A, ASN37D, ASN80D, ASP160A, ASP199A, ASP201A, ASP61D, ASP83D, ASP94D, CYS185A, GLN211A, GLN41D, GLU197A, GLU202A, GLY110A, GLY111A, GLY113A, GLY131D, GLY163A, GLY16D, GLY196A, GLY207A, GLY48D, GLY75D, GLY90D, GLY91D, HIS108A, HIS204A, HIS92D, ILE114A, ILE203A, ILE208A, ILE88D, ILE93D, LEU162A, LEU165A, LEU198A, LEU205A, LEU46D, LEU47D, LEU62D, LEU95D, LYS133D, LYS183A, LYS3A, PHE78D, PHE79D, PHE85D, PRO115A, PRO194A, PRO200A, PRO206A, PRO74D, SER77D, SER84D, THR148A, THR161A, TYR18D, TYR209A, VAL193A, VAL19D, VAL210A, VAL39D, VAL72D, VAL73D
• B-C: ALA109C, ALA112C, ALA179C, ALA181C, ALA182C, ALA195C, ALA76B, ALA82B, ALA86B, ARG89B, ASN164C, ASN2C, ASN37B, ASP160C, ASP199C, ASP201C, ASP83B, ASP94B, CYS185C, GLN211C, GLN41B, GLU197C, GLU202C, GLY110C, GLY111C, GLY113C, GLY131B, GLY163C, GLY16B, GLY196C, GLY207C, GLY48B, GLY75B, GLY90B, GLY91B, HIS108C, HIS204C, HIS92B, ILE114C, ILE203C, ILE208C, ILE88B, ILE93B, LEU162C, LEU165C, LEU198C, LEU205C, LEU46B, LEU47B, LEU62B, LEU95B, LYS133B, LYS183C, LYS3C, PHE78B, PHE79B, PHE85B, PRO115C, PRO194C, PRO200C, PRO206C, PRO74B, SER77B, SER84B, THR148C, THR161C, TYR18B, TYR209C, VAL19B, VAL210C, VAL39B, VAL72B, VAL73B
• B-D: ASN80B, ASN80D, ASP83B, ASP83D
• C-D: ALA104C, ALA109C, ALA110D, ALA125D, ALA171C, ALA51D, ALA60D, ALA65D, ALA75C, ALA82D, ALA86D, ARG168C, ARG172C, ARG222C, ARG229C, ARG89D, ASN106C, ASN111D, ASN173C, ASN175C, ASN44D, ASN52C, ASN53C, ASN64D, ASN80D, ASN81C, ASP108D, ASP127D, ASP59D, ASP61D, ASP83D, CYS178C, CYS29C, GLN100C, GLU105C, GLU140C, GLU144C, GLU190C, GLU220C, GLU224C, GLU43D, GLU55D, GLU68D, GLU80C, GLY101C, GLY121D, GLY122C, GLY123D, GLY124C, GLY124D, GLY131D, GLY160D, GLY25C, GLY27C, GLY30C, GLY45D, GLY50D, GLY55C, GLY56D, GLY66D, GLY79C, GLY90D, HIS108C, HIS130D, HIS204C, ILE119D, ILE127C, ILE223C, ILE226C, ILE23D, ILE31C, ILE49D, ILE63D, ILE70D, ILE88D, LEU103C, LEU107C, LEU109D, LEU118D, LEU126C, LEU128D, LEU156D, LEU158D, LEU177C, LEU205C, LEU28C, LEU46D, LEU47D, LEU54D, LEU62D, LEU89C, LEU97C, LYS116D, LYS120D, LYS139C, LYS155C, LYS161D, LYS169C, LYS221C, LYS225C, LYS67D, PHE167C, PHE174C, PHE26C, PHE78D, PHE79D, PHE84C, PHE85D, PRO115D, PRO120C, PRO157D, PRO176C, PRO53D, PRO99C, SER230C, SER42D, SER57D, SER76C, SER77D, SER81D, SER84D, THR102C, THR119C, THR121C, THR125C, THR159D, THR170C, THR227C, THR228C, THR69D, THR71D, THR98C, TRP112D, TYR117C, TYR118C, TYR141C, TYR157C, TYR52D, TYR77C, VAL123C, VAL129D, VAL163D, VAL56C, VAL58D, VAL72D, VAL78C, VAL95C