4A72

crystal structure of the omega transaminase from chromobacterium violaceum in a mixture of apo and plp-bound states

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 400
  • Norm. En. per Res.: -4.8849
• Hub Node: B(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	-35.1518	26.1666	-750.479	-759.4642	294	17	19	31531	0	83	72
B-C	-7.5943	19.7927	-27.8925	-15.6941	55	0	0	1831	1	33	36
B-D	0.0	0.0	-0.0953	-0.0953	10	0	0	44	0	5	3
C-D	-305.4156	-83.8947	-1564.65	-1953.9603	400	69	29	64805	7	133	132

Interface residues

• A-B: ALA104B, ALA15A, ALA161A, ALA161B, ALA16A, ALA221B, ALA329A, ALA329B, ALA57A, ALA57B, ALA72A, ALA72B, ALA74A, ALA74B, ALA75A, ALA75B, ALA95B, ARG113B, ARG11A, ARG129A, ARG129B, ARG132A, ARG132B, ARG133A, ARG133B, ARG34B, ARG38A, ARG38B, ARG405A, ARG405B, ARG410A, ARG410B, ARG416A, ARG416B, ARG68A, ARG68B, ARG76A, ARG76B, ARG77A, ARG77B, ASN118A, ASN118B, ASN317B, ASN411A, ASN411B, ASN412A, ASN412B, ASN50A, ASN50B, ASN63B, ASN86A, ASN86B, ASP112B, ASP125A, ASP125B, ASP136A, ASP136B, ASP14A, ASP174A, ASP174B, ASP315A, ASP315B, ASP406A, ASP406B, ASP46A, ASP46B, ASP54A, ASP54B, ASP70A, ASP70B, CYS328A, CYS328B, CYS61A, CYS61B, GLN172B, GLN78A, GLN78B, GLN9A, GLU122A, GLU122B, GLU12A, GLU142A, GLU142B, GLU171B, GLU40A, GLU40B, GLU48A, GLU48B, GLU73A, GLU73B, GLU80A, GLU80B, GLU81A, GLU81B, GLU98B, GLY120A, GLY120B, GLY155A, GLY155B, GLY159A, GLY159B, GLY160A, GLY160B, GLY173A, GLY173B, GLY179A, GLY179B, GLY293A, GLY293B, GLY298A, GLY298B, GLY313A, GLY314A, GLY324A, GLY324B, GLY39A, GLY39B, GLY49A, GLY49B, GLY55A, GLY55B, GLY58A, GLY58B, GLY65A, GLY65B, GLY67A, GLY67B, HIS318A, HIS318B, HIS325A, HIS325B, HIS93A, HIS93B, ILE128A, ILE128B, ILE158A, ILE158B, ILE177A, ILE177B, ILE297A, ILE297B, ILE311B, ILE407A, ILE407B, ILE414A, ILE414B, ILE52A, ILE52B, ILE53A, ILE53B, LEU13A, LEU146A, LEU146B, LEU163A, LEU163B, LEU175A, LEU175B, LEU295A, LEU295B, LEU413A, LEU413B, LEU44A, LEU44B, LEU59A, LEU59B, LEU82A, LEU82B, LYS143A, LYS143B, LYS144A, LYS144B, LYS288A, LYS288B, LYS51A, LYS51B, LYS69A, LYS69B, LYS90A, LYS90B, MET127A, MET127B, MET130A, MET130B, MET169A, MET169B, MET180A, MET180B, MET36B, MET415A, MET415B, MET56A, MET56B, MET79A, MET79B, PHE115A, PHE115B, PHE316A, PHE316B, PHE320B, PHE408A, PHE408B, PHE409A, PHE409B, PHE71A, PHE71B, PHE84A, PHE84B, PHE88A, PHE88B, PHE89A, PHE89B, PRO141A, PRO141B, PRO176A, PRO176B, PRO178A, PRO178B, PRO296A, PRO296B, PRO326A, PRO326B, PRO83A, PRO83B, PRO94A, PRO94B, SER100B, SER101B, SER119A, SER119B, SER121A, SER121B, SER123A, SER156A, SER156B, SER162A, SER162B, SER291A, SER291B, SER292A, SER292B, SER323B, SER47A, SER47B, THR117A, THR117B, THR126A, THR126B, THR145B, THR157A, THR157B, THR321B, THR37A, THR37B, THR87A, THR87B, THR91A, THR91B, THR92A, THR92B, TRP10A, TRP45A, TRP45B, TRP60A, TRP60B, TYR134A, TYR134B, TYR153B, TYR168A, TYR168B, TYR294A, TYR294B, TYR322A, TYR322B, TYR43A, TYR43B, TYR66A, TYR66B, TYR85A, TYR85B, VAL114B, VAL124A, VAL124B, VAL131A, VAL131B, VAL327A, VAL327B, VAL331A, VAL331B, VAL35B, VAL62A, VAL62B, VAL64B, VAL96B, VAL97B
• B-C: ALA109B, ALA109C, ALA239B, ARG247B, ARG247C, ARG250B, ARG250C, ARG305B, ARG305C, ASP112B, ASP112C, ASP252C, ASP282B, ASP282C, GLN138C, GLN275B, GLN275C, GLN280B, GLN280C, GLN346B, GLN346C, GLU105B, GLU105C, GLU244B, GLU246B, GLU246C, GLU270C, GLU308C, GLY110B, GLY110C, GLY278B, GLY278C, HIS274B, HIS276C, ILE245B, ILE248B, LEU256B, LYS251B, LYS304B, LYS304C, LYS349B, LYS349C, PHE111B, PHE111C, PHE277B, PHE277C, PHE279B, PRO108B, PRO108C, PRO243B, PRO281C, SER101C, THR240B, TRP242B, TYR134C
• B-D: ASP198B, ASP350B, ASP351B, GLN30D, GLN9D, GLU12D, HIS17D, LEU13D, LYS349B, PRO354B
• C-D: ALA104C, ALA104D, ALA15C, ALA15D, ALA161C, ALA161D, ALA16C, ALA16D, ALA26C, ALA26D, ALA286C, ALA286D, ALA287C, ALA287D, ALA307C, ALA307D, ALA312C, ALA312D, ALA31C, ALA31D, ALA329C, ALA329D, ALA330C, ALA33C, ALA33D, ALA417C, ALA417D, ALA57C, ALA57D, ALA72C, ALA72D, ALA74C, ALA74D, ALA75C, ALA75D, ALA95C, ALA95D, ARG113C, ARG113D, ARG11C, ARG11D, ARG129C, ARG129D, ARG132C, ARG132D, ARG133C, ARG133D, ARG34C, ARG34D, ARG38C, ARG38D, ARG405C, ARG405D, ARG416C, ARG416D, ARG5C, ARG5D, ARG68C, ARG68D, ARG76C, ARG76D, ARG77C, ARG77D, ASN118C, ASN118D, ASN29C, ASN29D, ASN317C, ASN317D, ASN335C, ASN86C, ASN86D, ASP112C, ASP112D, ASP125C, ASP125D, ASP136C, ASP136D, ASP14C, ASP14D, ASP174C, ASP174D, ASP24C, ASP24D, ASP315C, ASP315D, ASP406C, ASP406D, ASP46C, ASP46D, ASP54C, ASP54D, ASP70C, ASP70D, CYS328C, CYS328D, CYS61C, CYS61D, GLN172C, GLN172D, GLN78C, GLN78D, GLN9C, GLN9D, GLU105C, GLU105D, GLU122C, GLU122D, GLU12C, GLU12D, GLU142C, GLU171C, GLU171D, GLU308C, GLU308D, GLU40C, GLU40D, GLU73C, GLU73D, GLU80C, GLU80D, GLU81C, GLU81D, GLU98C, GLU98D, GLY120C, GLY120D, GLY155C, GLY155D, GLY159C, GLY159D, GLY160C, GLY160D, GLY173D, GLY179C, GLY179D, GLY289C, GLY289D, GLY293C, GLY293D, GLY298C, GLY298D, GLY303C, GLY303D, GLY313C, GLY313D, GLY314C, GLY314D, GLY319C, GLY319D, GLY324C, GLY324D, GLY32C, GLY32D, GLY39C, GLY39D, GLY55C, GLY55D, GLY58C, GLY58D, GLY65C, GLY65D, GLY67C, GLY67D, HIS170C, HIS170D, HIS17C, HIS17D, HIS18C, HIS18D, HIS20C, HIS20D, HIS318C, HIS318D, HIS325C, HIS325D, HIS333C, HIS333D, HIS93C, HIS93D, ILE128C, ILE128D, ILE158C, ILE158D, ILE177C, ILE177D, ILE262C, ILE262D, ILE297C, ILE297D, ILE311C, ILE311D, ILE414C, ILE414D, ILE52C, ILE52D, ILE53D, LEU102C, LEU102D, LEU103C, LEU103D, LEU13C, LEU13D, LEU146C, LEU163C, LEU175C, LEU175D, LEU19C, LEU19D, LEU283C, LEU283D, LEU28C, LEU28D, LEU290C, LEU290D, LEU295C, LEU295D, LEU310C, LEU310D, LEU413D, LEU44C, LEU44D, LEU59C, LEU59D, LEU82C, LEU82D, LEU99C, LEU99D, LYS143C, LYS144C, LYS144D, LYS167C, LYS167D, LYS288C, LYS288D, LYS69C, LYS69D, LYS90C, LYS90D, MET127C, MET127D, MET130C, MET130D, MET166C, MET166D, MET169C, MET169D, MET180C, MET180D, MET36C, MET36D, MET415C, MET415D, MET56C, MET56D, MET79C, MET79D, PHE111C, PHE111D, PHE115C, PHE115D, PHE22C, PHE22D, PHE301C, PHE301D, PHE316C, PHE316D, PHE320C, PHE320D, PHE409C, PHE409D, PHE71C, PHE71D, PHE84C, PHE84D, PHE88C, PHE88D, PHE89C, PHE89D, PRO141C, PRO141D, PRO176C, PRO176D, PRO178C, PRO178D, PRO21C, PRO21D, PRO296C, PRO296D, PRO326C, PRO326D, PRO83C, PRO83D, PRO94C, PRO94D, SER100C, SER100D, SER101C, SER101D, SER119C, SER119D, SER121C, SER121D, SER123C, SER123D, SER156C, SER156D, SER162C, SER162D, SER27C, SER27D, SER291C, SER291D, SER292C, SER292D, SER323C, SER323D, SER47C, SER47D, THR117C, THR117D, THR126C, THR126D, THR145C, THR157C, THR157D, THR23C, THR23D, THR25C, THR25D, THR321C, THR321D, THR37C, THR37D, THR402C, THR402D, THR6C, THR6D, THR7C, THR87C, THR87D, THR91C, THR91D, THR92C, THR92D, TRP10C, TRP10D, TRP45C, TRP45D, TRP60C, TRP60D, TYR116C, TYR116D, TYR134C, TYR134D, TYR153C, TYR153D, TYR168C, TYR168D, TYR294C, TYR294D, TYR322C, TYR322D, TYR43C, TYR43D, TYR66C, TYR66D, TYR85C, TYR85D, VAL114C, VAL114D, VAL124C, VAL124D, VAL131C, VAL137C, VAL137D, VAL261C, VAL261D, VAL300C, VAL300D, VAL302C, VAL302D, VAL306C, VAL306D, VAL327C, VAL327D, VAL331C, VAL331D, VAL35C, VAL35D, VAL423C, VAL423D, VAL62C, VAL62D, VAL64C, VAL64D, VAL96C, VAL96D, VAL97C, VAL97D