3U0G

crystal structure of branched-chain amino acid aminotransferase from burkholderia pseudomallei

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 209
  • Norm. En. per Res.: -4.0359
• Hub Node: A(5)

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	-112.1828	33.0361	-737.607	-816.7538	212	15	25	30324	0	41	45
A-C	-49.1227	-19.6742	-188.104	-256.9009	91	8	2	8061	3	53	44
A-D	-32.8882	4.4429	-120.64	-149.0852	63	4	0	4587	2	18	22
A-E	-45.6637	-28.4366	-189.285	-263.3853	90	9	2	8035	3	50	44
A-F	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
B-C	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	1
B-D	-46.2338	-25.2344	-181.543	-253.0112	89	9	2	7843	3	49	42
B-E	-51.7041	-4.8429	-110.627	-167.1741	62	7	0	4387	2	18	20
B-F	-24.5462	-17.5165	-179.162	-221.2247	90	5	2	7769	3	51	43
C-D	-125.7733	31.1046	-748.829	-843.4977	209	19	26	30228	0	39	45
C-E	-30.7761	-24.1148	-191.214	-246.1049	90	6	2	8003	3	52	44
C-F	-53.7381	-0.728	-112.184	-166.6502	61	5	0	4381	2	19	21
D-E	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	1
D-F	-34.7152	-4.4482	-185.07	-224.2335	90	4	2	7747	1	51	44
E-F	-125.7947	35.0219	-728.798	-819.5708	206	18	26	29923	0	42	46

Interface residues

• A-B: ALA114A, ALA114B, ALA122A, ALA122B, ALA124A, ALA124B, ALA125A, ALA125B, ALA160A, ALA160B, ALA162A, ALA162B, ALA172A, ALA172B, ALA178A, ALA178B, ALA22A, ALA22B, ALA259A, ALA259B, ALA4A, ALA4B, ARG100A, ARG100B, ARG150A, ARG150B, ARG20A, ARG20B, ARG6A, ARG6B, ASN117A, ASN117B, ASN154A, ASN154B, ASN168A, ASN168B, ASN173A, ASN173B, ASP13B, ASP182A, ASP182B, ASP188A, ASP188B, ASP190A, ASP190B, ASP21A, ASP21B, ASP5A, ASP5B, GLN174A, GLN174B, GLN71A, GLN71B, GLU108A, GLU108B, GLU175A, GLU175B, GLU183A, GLU183B, GLU18A, GLU18B, GLU199A, GLU199B, GLU39A, GLU39B, GLY106A, GLY106B, GLY111A, GLY111B, GLY116B, GLY164A, GLY164B, GLY198A, GLY198B, GLY34A, GLY34B, GLY36A, GLY36B, GLY40B, HIS120A, HIS120B, HIS151A, HIS151B, HIS152A, HIS152B, HIS25A, HIS25B, HIS29A, HIS29B, HIS32A, HIS32B, ILE102A, ILE102B, ILE103A, ILE103B, ILE105A, ILE105B, ILE10A, ILE10B, ILE123A, ILE123B, ILE170A, ILE170B, ILE17A, ILE17B, ILE24A, ILE24B, ILE69A, ILE69B, LEU110A, LEU110B, LEU171A, LEU171B, LEU186A, LEU186B, LEU187A, LEU187B, LEU27A, LEU27B, LEU31A, LEU31B, LYS109A, LYS109B, LYS115A, LYS115B, LYS161A, LYS161B, LYS23A, LYS23B, LYS68A, MET12A, MET12B, MET157A, MET157B, MET1A, MET35A, MET35B, MET3A, MET3B, MET72A, MET72B, PHE148A, PHE148B, PHE38A, PHE38B, PHE70A, PHE70B, PRO101A, PRO101B, SER107A, SER107B, SER113A, SER113B, SER146A, SER146B, SER147A, SER147B, SER156A, SER156B, SER163A, SER163B, SER169A, SER169B, SER197A, SER197B, SER2A, SER2B, THR118B, THR149A, THR149B, THR177A, THR177B, THR28A, THR28B, THR30A, THR30B, TRP104A, TRP104B, TRP11A, TRP11B, TRP126A, TRP126B, TRP128A, TRP128B, TRP165A, TRP165B, TRP19A, TRP19B, TYR166A, TYR166B, TYR33A, TYR33B, TYR98A, TYR98B, VAL112A, VAL112B, VAL121A, VAL121B, VAL153A, VAL153B, VAL155A, VAL155B, VAL158A, VAL158B, VAL167A, VAL167B, VAL189A, VAL189B, VAL26A, VAL26B, VAL37A, VAL37B
• A-C: ALA160C, ALA215C, ALA250A, ALA67C, ARG159C, ARG206A, ARG223C, ARG241A, ARG241C, ARG244A, ARG266A, ARG271A, ARG55C, ARG62C, ASN154C, ASN205A, ASN270A, ASN65C, ASP188A, ASP188C, ASP190A, ASP190C, ASP213A, ASP213C, ASP219C, ASP224C, ASP245A, ASP251A, ASP269A, CYS217C, GLN71C, GLU236A, GLU239A, GLU239C, GLU246A, GLU267A, GLU58C, GLY191A, GLY220C, GLY274A, GLY275A, GLY276A, HIS151C, HIS152C, ILE221C, ILE227C, ILE238A, ILE242A, ILE242C, ILE273A, ILE69C, LEU187A, LEU203A, LEU214C, LEU268A, LEU64C, LYS208A, LYS231C, LYS240A, LYS240C, LYS61C, LYS68C, MET157C, MET35C, MET72C, PHE70C, PRO212C, SER146A, SER147A, SER156C, SER194C, SER216C, SER66C, THR145A, THR149A, THR243A, THR249A, THR272A, TRP165C, TYR192A, TYR192C, TYR210A, TYR248A, VAL153C, VAL155C, VAL158C, VAL189A, VAL189C, VAL193A, VAL193C, VAL247A
• A-D: ALA172A, ALA172D, ALA176A, ALA176D, ALA178A, ALA178D, ARG142A, ARG142D, ARG244A, ARG244D, ARG271A, ARG271D, ASN168A, ASN168D, ASN270A, ASN270D, ASP179A, ASP179D, ASP188A, ASP190A, ASP190D, ASP245A, ASP245D, ASP269A, ASP269D, GLN174A, GLN174D, GLU175A, GLU175D, GLY180A, GLY180D, GLY191A, GLY191D, ILE170A, ILE170D, LEU171A, LEU171D, LEU185A, LEU185D, LEU186A, LEU186D, LEU187A, LEU187D, LEU268A, LEU268D, LYS144A, LYS144D, PHE148A, PHE148D, SER146A, SER146D, SER147A, SER147D, THR145A, THR145D, THR149A, THR149D, TYR181A, TYR181D, TYR248A, TYR248D, VAL189A, VAL189D
• A-E: ALA160A, ALA215A, ALA250E, ALA67A, ARG159A, ARG206E, ARG223A, ARG241A, ARG241E, ARG244E, ARG266E, ARG271E, ARG55A, ARG62A, ASN154A, ASN205E, ASN270E, ASN65A, ASP188A, ASP188E, ASP190A, ASP190E, ASP213A, ASP213E, ASP219A, ASP224A, ASP245E, ASP251E, ASP269E, CYS217A, GLN71A, GLU236E, GLU239A, GLU239E, GLU246E, GLU267E, GLU58A, GLY191E, GLY220A, GLY274E, GLY275E, GLY276E, HIS151A, HIS152A, ILE221A, ILE227A, ILE238E, ILE242A, ILE242E, ILE273E, ILE69A, LEU187E, LEU203E, LEU214A, LEU268E, LEU64A, LYS208E, LYS231A, LYS240A, LYS240E, LYS61A, LYS68A, MET157A, MET35A, MET72A, PHE70A, PRO212A, SER146E, SER147E, SER156A, SER194A, SER216A, SER66A, THR145E, THR149E, THR243E, THR249E, THR272E, TYR192A, TYR192E, TYR210E, TYR248E, VAL153A, VAL155A, VAL158A, VAL189A, VAL189E, VAL193A, VAL193E, VAL247E
• A-F: ASN154A, ASN154F
• B-C: ASN154B, ASN154C
• B-D: ALA160B, ALA215B, ALA250D, ALA67B, ARG159B, ARG206D, ARG223B, ARG241B, ARG241D, ARG244D, ARG266D, ARG271D, ARG55B, ARG62B, ASN154B, ASN205D, ASN270D, ASN65B, ASP188B, ASP188D, ASP190B, ASP190D, ASP213B, ASP219B, ASP224B, ASP245D, ASP251D, ASP269D, CYS217B, GLN71B, GLU236D, GLU239B, GLU239D, GLU246D, GLU267D, GLU58B, GLY191D, GLY220B, GLY274D, GLY275D, GLY276D, HIS151B, HIS152B, ILE221B, ILE238D, ILE242B, ILE242D, ILE273D, ILE69B, LEU187D, LEU203D, LEU214B, LEU268D, LEU64B, LYS208D, LYS231B, LYS240B, LYS240D, LYS61B, LYS68B, MET157B, MET35B, MET72B, PHE70B, PRO212B, SER146D, SER147D, SER156B, SER194B, SER216B, SER66B, THR145D, THR149D, THR243D, THR249D, THR272D, TRP165B, TYR192B, TYR192D, TYR210D, TYR248D, VAL153B, VAL155B, VAL158B, VAL189B, VAL189D, VAL193B, VAL193D, VAL247D
• B-E: ALA172B, ALA172E, ALA176B, ALA176E, ALA178B, ALA178E, ARG142B, ARG142E, ARG244B, ARG244E, ARG271B, ARG271E, ASN168B, ASN168E, ASN270B, ASN270E, ASP179B, ASP179E, ASP188B, ASP190B, ASP190E, ASP245B, ASP245E, ASP269B, ASP269E, GLN174B, GLN174E, GLU175B, GLU175E, GLY180B, GLY180E, GLY191B, GLY191E, ILE170B, ILE170E, LEU171B, LEU171E, LEU185B, LEU185E, LEU186B, LEU186E, LEU187B, LEU187E, LYS144B, LYS144E, PHE148B, PHE148E, SER146B, SER146E, SER147B, SER147E, THR145B, THR145E, THR149B, THR149E, THR177B, TYR181B, TYR181E, TYR248B, TYR248E, VAL189B, VAL189E
• B-F: ALA160F, ALA215F, ALA250B, ALA67F, ARG159F, ARG206B, ARG223F, ARG241B, ARG241F, ARG244B, ARG266B, ARG271B, ARG55F, ARG62F, ASN154F, ASN205B, ASN270B, ASN65F, ASP188B, ASP188F, ASP190B, ASP190F, ASP213B, ASP213F, ASP219F, ASP224F, ASP245B, ASP251B, ASP269B, CYS217F, GLN71F, GLU236B, GLU239B, GLU239F, GLU246B, GLU267B, GLU58F, GLY191B, GLY220F, GLY274B, GLY275B, GLY276B, HIS151F, HIS152F, ILE221F, ILE238B, ILE242B, ILE242F, ILE273B, ILE69F, LEU187B, LEU203B, LEU214F, LEU268B, LEU64F, LYS208B, LYS231F, LYS240B, LYS240F, LYS61F, LYS68F, MET157F, MET35F, MET72F, PHE70F, PRO212F, SER146B, SER147B, SER156F, SER194F, SER216F, SER66F, THR145B, THR149B, THR243B, THR249B, THR272B, TRP165F, TYR192B, TYR192F, TYR210B, TYR248B, VAL153F, VAL155F, VAL158F, VAL189B, VAL189F, VAL193B, VAL193F, VAL247B
• C-D: ALA114C, ALA114D, ALA122C, ALA122D, ALA124C, ALA124D, ALA125C, ALA125D, ALA160C, ALA160D, ALA162C, ALA162D, ALA172C, ALA172D, ALA178C, ALA178D, ALA22C, ALA22D, ALA259C, ALA259D, ALA4C, ALA4D, ARG100C, ARG100D, ARG150C, ARG150D, ARG20C, ARG20D, ARG6C, ARG6D, ASN117C, ASN117D, ASN154C, ASN154D, ASN168C, ASN168D, ASN173C, ASN173D, ASP13C, ASP13D, ASP182C, ASP182D, ASP188C, ASP188D, ASP190C, ASP190D, ASP21C, ASP21D, ASP5C, ASP5D, GLN174C, GLN174D, GLN71C, GLN71D, GLU108C, GLU108D, GLU175C, GLU175D, GLU183C, GLU183D, GLU18C, GLU18D, GLU199C, GLU199D, GLU39C, GLU39D, GLY106C, GLY106D, GLY111C, GLY111D, GLY116D, GLY164C, GLY164D, GLY198C, GLY198D, GLY34C, GLY34D, GLY36C, GLY36D, HIS120C, HIS120D, HIS151C, HIS151D, HIS152C, HIS152D, HIS25C, HIS25D, HIS29C, HIS29D, HIS32C, HIS32D, ILE102C, ILE102D, ILE103C, ILE103D, ILE105C, ILE105D, ILE10C, ILE10D, ILE123C, ILE123D, ILE170C, ILE170D, ILE17C, ILE17D, ILE24C, ILE24D, ILE69C, ILE69D, LEU110C, LEU110D, LEU171C, LEU171D, LEU186C, LEU186D, LEU187C, LEU187D, LEU27C, LEU27D, LEU31C, LEU31D, LYS109C, LYS109D, LYS115C, LYS115D, LYS161C, LYS161D, LYS23C, LYS23D, MET12C, MET12D, MET157C, MET157D, MET35C, MET35D, MET3C, MET3D, MET72C, MET72D, PHE148C, PHE148D, PHE38C, PHE38D, PHE70C, PHE70D, PRO101C, PRO101D, SER107C, SER107D, SER113C, SER113D, SER146C, SER146D, SER147C, SER147D, SER156C, SER156D, SER163C, SER163D, SER169C, SER169D, SER197C, SER197D, SER2C, SER2D, THR118D, THR149C, THR149D, THR177C, THR177D, THR28C, THR28D, THR30C, THR30D, TRP104C, TRP104D, TRP11C, TRP11D, TRP126C, TRP126D, TRP128C, TRP165C, TRP165D, TRP19C, TRP19D, TYR166C, TYR166D, TYR33C, TYR33D, TYR98C, TYR98D, VAL112C, VAL112D, VAL121C, VAL121D, VAL153C, VAL153D, VAL155C, VAL155D, VAL158C, VAL158D, VAL167C, VAL167D, VAL189C, VAL189D, VAL26C, VAL26D, VAL37C, VAL37D
• C-E: ALA160E, ALA215E, ALA250C, ALA67E, ARG159E, ARG206C, ARG223E, ARG241C, ARG241E, ARG244C, ARG266C, ARG271C, ARG55E, ARG62E, ASN154E, ASN205C, ASN270C, ASN65E, ASP188C, ASP188E, ASP190C, ASP190E, ASP213C, ASP213E, ASP219E, ASP224E, ASP245C, ASP251C, ASP269C, CYS217E, GLN71E, GLU236C, GLU239C, GLU239E, GLU246C, GLU267C, GLU58E, GLY191C, GLY220E, GLY274C, GLY275C, GLY276C, HIS151E, HIS152E, ILE221E, ILE227E, ILE238C, ILE242C, ILE242E, ILE273C, ILE69E, LEU187C, LEU214E, LEU268C, LEU64E, LYS208C, LYS231E, LYS240C, LYS240E, LYS61E, LYS68E, MET157E, MET35E, MET72E, PHE70E, PRO212E, SER146C, SER147C, SER156E, SER194E, SER216E, SER66E, THR145C, THR149C, THR228E, THR243C, THR249C, THR272C, TYR192C, TYR192E, TYR210C, TYR248C, VAL153E, VAL155E, VAL158E, VAL189C, VAL189E, VAL193C, VAL193E, VAL247C
• C-F: ALA172C, ALA172F, ALA176C, ALA176F, ALA178C, ALA178F, ARG142C, ARG142F, ARG244C, ARG244F, ARG271C, ARG271F, ASN168C, ASN168F, ASN270C, ASN270F, ASP179C, ASP179F, ASP188C, ASP190C, ASP190F, ASP245C, ASP245F, ASP269C, ASP269F, GLN174C, GLN174F, GLU175C, GLU175F, GLY180C, GLY180F, GLY191C, GLY191F, ILE170C, ILE170F, LEU171C, LEU171F, LEU185C, LEU185F, LEU186C, LEU186F, LEU187C, LEU187F, LYS144C, LYS144F, PHE148C, PHE148F, SER146C, SER146F, SER147C, SER147F, THR145C, THR145F, THR149C, THR149F, TYR181C, TYR181F, TYR248C, TYR248F, VAL189C, VAL189F
• D-E: ASN154D, ASN154E
• D-F: ALA160D, ALA215D, ALA250F, ALA67D, ARG159D, ARG206F, ARG223D, ARG241D, ARG241F, ARG244F, ARG266F, ARG271F, ARG55D, ARG62D, ASN154D, ASN205F, ASN270F, ASN65D, ASP188D, ASP188F, ASP190D, ASP190F, ASP213D, ASP213F, ASP219D, ASP224D, ASP245F, ASP251F, ASP269F, CYS217D, GLN71D, GLU236F, GLU239D, GLU239F, GLU246F, GLU267F, GLU58D, GLY191F, GLY220D, GLY274F, GLY275F, GLY276F, HIS151D, HIS152D, ILE221D, ILE227D, ILE238F, ILE242D, ILE242F, ILE273F, ILE69D, LEU187F, LEU214D, LEU268F, LEU64D, LYS208F, LYS231D, LYS240D, LYS240F, LYS61D, LYS68D, MET157D, MET35D, MET72D, PHE70D, PRO212D, SER146F, SER147F, SER156D, SER194D, SER216D, SER66D, THR145F, THR149F, THR228D, THR243F, THR249F, THR272F, TYR192D, TYR192F, TYR210F, TYR248F, VAL153D, VAL155D, VAL158D, VAL189D, VAL189F, VAL193D, VAL193F, VAL247F
• E-F: ALA114E, ALA114F, ALA122E, ALA122F, ALA124E, ALA124F, ALA125E, ALA125F, ALA160E, ALA160F, ALA162E, ALA162F, ALA172E, ALA172F, ALA178E, ALA178F, ALA22E, ALA22F, ALA259E, ALA259F, ALA4E, ALA4F, ARG100E, ARG100F, ARG150E, ARG150F, ARG20E, ARG20F, ARG6E, ARG6F, ASN117E, ASN117F, ASN154E, ASN154F, ASN168E, ASN168F, ASN173E, ASN173F, ASP182F, ASP188E, ASP188F, ASP190E, ASP190F, ASP21E, ASP21F, ASP5E, ASP5F, GLN174E, GLN174F, GLN71E, GLN71F, GLU108E, GLU108F, GLU175E, GLU175F, GLU183E, GLU183F, GLU18E, GLU18F, GLU199E, GLU199F, GLU39E, GLU39F, GLY106E, GLY106F, GLY111E, GLY111F, GLY116E, GLY164E, GLY164F, GLY198E, GLY198F, GLY34E, GLY34F, GLY36E, GLY36F, HIS120E, HIS120F, HIS151E, HIS151F, HIS152E, HIS152F, HIS25E, HIS25F, HIS29E, HIS29F, HIS32E, HIS32F, ILE102E, ILE102F, ILE103E, ILE103F, ILE105E, ILE105F, ILE10E, ILE10F, ILE123E, ILE123F, ILE170E, ILE170F, ILE17E, ILE17F, ILE24E, ILE24F, ILE69E, ILE69F, LEU110E, LEU110F, LEU171E, LEU171F, LEU186E, LEU186F, LEU187E, LEU187F, LEU27E, LEU27F, LEU31E, LEU31F, LYS109E, LYS109F, LYS115E, LYS115F, LYS161E, LYS161F, LYS23E, LYS23F, MET12E, MET12F, MET157E, MET157F, MET35E, MET35F, MET3E, MET3F, MET72E, MET72F, PHE148E, PHE148F, PHE38E, PHE38F, PHE70E, PHE70F, PRO101E, PRO101F, SER107E, SER107F, SER113E, SER113F, SER146E, SER146F, SER147E, SER147F, SER156E, SER156F, SER163E, SER163F, SER169E, SER169F, SER197E, SER197F, SER2E, SER2F, THR149E, THR149F, THR177E, THR177F, THR28E, THR28F, THR30E, THR30F, TRP104E, TRP104F, TRP11E, TRP11F, TRP126E, TRP126F, TRP128E, TRP128F, TRP165E, TRP165F, TRP19E, TRP19F, TYR166E, TYR166F, TYR33E, TYR33F, TYR98E, TYR98F, VAL112E, VAL112F, VAL121E, VAL121F, VAL153E, VAL153F, VAL155E, VAL155F, VAL158E, VAL158F, VAL167E, VAL167F, VAL189E, VAL189F, VAL26E, VAL26F, VAL37E, VAL37F