2EJ0

crystal structure of t.th.hb8 branched-chain amino acid aminotransferase with pyridoxamine 5'-phosphate

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 221
  • Norm. En. per Res.: -3.8154
• 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	-27.8588	15.5322	-196.132	-208.4587	90	8	2	8285	1	46	38
A-C	-30.5924	7.4782	-201.194	-224.3082	91	7	2	8413	2	45	38
A-D	-14.1017	45.0012	-126.916	-96.0165	66	0	1	4895	0	13	13
A-E	-75.8807	25.8927	-781.274	-831.2621	220	11	40	32418	0	17	35
A-F	0.0	0.0	-0.0315	-0.0315	2	0	0	9	0	0	4
B-C	-27.1971	13.7367	-190.561	-204.0214	89	5	2	8048	1	44	37
B-D	-84.3396	27.9198	-781.863	-838.2828	221	11	39	32308	0	16	35
B-E	0.0	0.0	-0.031	-0.031	2	0	0	9	0	0	4
B-F	-14.2151	43.886	-125.333	-95.6621	64	0	1	4848	0	13	13
C-D	0.0	0.0	-0.0307	-0.0307	2	0	0	9	0	0	4
C-E	-13.9157	44.1017	-131.967	-101.781	67	3	1	5032	0	12	13
C-F	-88.4938	27.7013	-782.404	-843.1965	221	12	39	32381	0	17	35
D-E	-27.5699	14.9081	-188.815	-201.4768	92	5	2	7969	1	44	37
D-F	-26.1504	23.5278	-195.9	-198.5226	89	8	2	8103	1	46	38
E-F	-30.0469	5.6481	-197.796	-222.1948	92	8	2	8448	2	45	38

Interface residues

• A-B: ALA147A, ALA151B, ALA158B, ALA192B, ALA240A, ALA240B, ALA248A, ALA64B, ARG203A, ARG239A, ARG239B, ARG242A, ARG269A, ARG52B, ARG59B, ARG68B, ASN152B, ASN163B, ASN215B, ASN62B, ASP186A, ASP186B, ASP204A, ASP222B, ASP243A, ASP249A, ASP267A, GLN236A, GLN244A, GLU187A, GLU187B, GLU188A, GLU188B, GLU211A, GLU211B, GLU217B, GLU234A, GLU55B, GLU70B, GLY156B, GLY189A, GLY272A, GLY274A, HIS212B, ILE219B, ILE266A, ILE271A, LEU112B, LEU185A, LEU216B, LEU245A, LEU67B, LYS157B, LYS159B, LYS229B, LYS273A, LYS58B, LYS65B, MET154B, MET247A, MET265A, MET69B, PHE149B, PHE201A, PHE60B, PRO111B, PRO150B, PRO155B, PRO270A, SER144A, SER213B, SER264A, SER63B, THR143A, THR241A, TRP268A, TYR190A, TYR190B, TYR208A, TYR246A, TYR61B, VAL153B, VAL160B, VAL191A, VAL191B, VAL214B, VAL237A, VAL237B, VAL238A, VAL66B
• A-C: ALA147C, ALA151A, ALA158A, ALA192A, ALA240A, ALA240C, ALA248C, ALA64A, ARG203C, ARG221A, ARG239A, ARG239C, ARG242C, ARG269C, ARG52A, ARG59A, ARG68A, ASN152A, ASN163A, ASN215A, ASN62A, ASP186A, ASP186C, ASP204C, ASP222A, ASP243C, ASP249C, ASP267C, GLN236C, GLN244C, GLU187A, GLU187C, GLU188A, GLU188C, GLU211A, GLU211C, GLU217A, GLU234C, GLU55A, GLU70A, GLY156A, GLY189C, GLY272C, GLY274C, HIS212A, ILE219A, ILE266C, ILE271C, LEU112A, LEU185C, LEU210A, LEU216A, LEU245C, LEU67A, LYS157A, LYS159A, LYS229A, LYS273C, LYS58A, LYS65A, MET154A, MET247C, MET265C, MET69A, PHE149A, PHE201C, PRO111A, PRO150A, PRO155A, PRO270C, SER144C, SER213A, SER264C, SER63A, THR143C, THR241C, TRP268C, TYR190A, TYR190C, TYR208C, TYR246C, TYR61A, VAL153A, VAL160A, VAL191A, VAL191C, VAL214A, VAL237A, VAL238A, VAL238C, VAL66A
• A-D: ALA147A, ALA147D, ALA168A, ALA168D, ALA170A, ALA170D, ALA174A, ALA174D, ALA176A, ALA176D, ALA177A, ALA177D, ALA179A, ALA179D, ARG242A, ARG242D, ARG269A, ARG269D, ASN166A, ASN166D, ASP186A, ASP186D, ASP243A, ASP243D, ASP267A, ASP267D, GLU173A, GLU173D, GLU187A, GLU187D, GLU188A, GLU188D, GLY178A, GLY178D, GLY189A, GLY189D, ILE142A, ILE142D, LEU169A, LEU169D, LEU183A, LEU183D, LEU184A, LEU184D, LEU185A, LEU185D, MET172A, MET172D, SER144A, SER144D, SER145A, SER145D, THR143A, THR143D, THR241A, THR241D, TRP146A, TRP146D, TRP268A, TRP268D, TYR190A, TYR190D, TYR246A, TYR246D, VAL175A, VAL175D
• A-E: ALA100A, ALA100E, ALA104A, ALA104E, ALA106A, ALA106E, ALA122A, ALA122E, ALA123A, ALA123E, ALA147A, ALA147E, ALA151A, ALA151E, ALA158A, ALA158E, ALA168A, ALA168E, ALA170A, ALA170E, ALA174A, ALA174E, ALA176A, ALA176E, ALA177A, ALA177E, ALA182A, ALA182E, ALA20A, ALA20E, ALA28A, ALA28E, ALA5A, ALA5E, ALA64A, ALA64E, ARG148A, ARG148E, ARG68A, ARG68E, ARG97A, ARG97E, ASN110A, ASN110E, ASN114A, ASN114E, ASN115A, ASN115E, ASN11A, ASN11E, ASN152A, ASN152E, ASN163A, ASN163E, ASN166A, ASN166E, ASP186A, ASP186E, GLN17A, GLN17E, GLN2A, GLN2E, GLU118A, GLU118E, GLU173A, GLU173E, GLU181A, GLU181E, GLU187A, GLU187E, GLU188A, GLU188E, GLU18A, GLU18E, GLU197E, GLU19A, GLU19E, GLU37A, GLU37E, GLY103A, GLY103E, GLY108A, GLY108E, GLY156A, GLY156E, GLY161A, GLY161E, GLY162A, GLY162E, GLY189A, GLY189E, GLY196A, GLY196E, GLY32A, GLY32E, GLY38A, GLY6A, GLY6E, HIS27A, HIS27E, HIS30A, HIS30E, ILE3A, ILE3E, ILE8A, ILE8E, LEU107A, LEU107E, LEU112A, LEU112E, LEU169A, LEU169E, LEU184A, LEU184E, LEU185A, LEU185E, LEU25A, LEU25E, LEU29A, LEU29E, LEU67A, LEU67E, LEU99A, LEU99E, LYS105A, LYS105E, LYS157A, LYS157E, LYS159A, LYS159E, LYS171A, LYS171E, LYS21A, LYS21E, LYS4A, LYS4E, LYS65A, LYS65E, MET102A, MET102E, MET10A, MET10E, MET120A, MET120E, MET154A, MET154E, MET172A, MET172E, MET69A, MET69E, PHE149A, PHE149E, PHE36A, PHE36E, PRO111A, PRO111E, PRO113A, PRO113E, PRO150A, PRO150E, PRO155A, PRO155E, PRO98A, PRO98E, SER144A, SER144E, SER145A, SER145E, SER167A, SER167E, SER195A, SER195E, SER23A, SER23E, SER26A, SER26E, SER34A, SER34E, SER63A, SER63E, THR22A, THR22E, THR33A, THR33E, TRP101A, TRP101E, TRP124A, TRP124E, TRP146A, TRP146E, TRP9A, TRP9E, TYR164A, TYR164E, TYR31A, TYR31E, TYR95A, TYR95E, VAL109A, VAL109E, VAL119A, VAL119E, VAL121A, VAL121E, VAL153A, VAL153E, VAL15A, VAL15E, VAL160A, VAL160E, VAL165A, VAL165E, VAL175A, VAL175E, VAL24A, VAL24E, VAL35A, VAL35E, VAL66A, VAL66E
• A-F: ASN152A, ASN152F
• B-C: ALA147B, ALA151C, ALA158C, ALA192C, ALA240B, ALA240C, ALA248B, ALA64C, ARG203B, ARG239B, ARG239C, ARG242B, ARG269B, ARG52C, ARG59C, ARG68C, ASN152C, ASN163C, ASN215C, ASN62C, ASP186B, ASP186C, ASP204B, ASP243B, ASP249B, ASP267B, GLN236B, GLN244B, GLU187B, GLU187C, GLU188B, GLU188C, GLU211B, GLU211C, GLU217C, GLU234B, GLU55C, GLU70C, GLY156C, GLY189B, GLY272B, GLY274B, HIS212C, ILE219C, ILE266B, ILE271B, LEU112C, LEU185B, LEU216C, LEU245B, LEU67C, LYS157C, LYS159C, LYS229C, LYS273B, LYS58C, LYS65C, MET154C, MET247B, MET265B, MET69C, PHE149C, PHE201B, PHE60C, PRO111C, PRO150C, PRO155C, PRO270B, SER144B, SER213C, SER264B, SER63C, THR143B, THR241B, TRP268B, TYR190B, TYR190C, TYR208B, TYR246B, TYR61C, VAL153C, VAL160C, VAL191B, VAL191C, VAL214C, VAL237B, VAL237C, VAL238B, VAL66C
• B-D: ALA100B, ALA100D, ALA104B, ALA104D, ALA106B, ALA106D, ALA122B, ALA122D, ALA123B, ALA123D, ALA147B, ALA147D, ALA151B, ALA151D, ALA158B, ALA158D, ALA168B, ALA168D, ALA170B, ALA170D, ALA174B, ALA174D, ALA176B, ALA176D, ALA177B, ALA177D, ALA182B, ALA182D, ALA20B, ALA20D, ALA28B, ALA28D, ALA5B, ALA5D, ALA64B, ALA64D, ARG148B, ARG148D, ARG68B, ARG68D, ARG97B, ARG97D, ASN110B, ASN110D, ASN114B, ASN114D, ASN115B, ASN115D, ASN11B, ASN11D, ASN152B, ASN152D, ASN163B, ASN163D, ASN166B, ASN166D, ASP186B, ASP186D, GLN17B, GLN17D, GLN2B, GLN2D, GLU118B, GLU118D, GLU173B, GLU173D, GLU181B, GLU181D, GLU187B, GLU187D, GLU188B, GLU188D, GLU18B, GLU18D, GLU197B, GLU197D, GLU19B, GLU19D, GLU37B, GLU37D, GLY103B, GLY103D, GLY108B, GLY108D, GLY156B, GLY156D, GLY161B, GLY161D, GLY162B, GLY162D, GLY189B, GLY189D, GLY196B, GLY196D, GLY32B, GLY32D, GLY6B, GLY6D, HIS27B, HIS27D, HIS30B, HIS30D, ILE3B, ILE3D, ILE8B, ILE8D, LEU107B, LEU107D, LEU112B, LEU112D, LEU169B, LEU169D, LEU184B, LEU184D, LEU185B, LEU185D, LEU25B, LEU25D, LEU29B, LEU29D, LEU67B, LEU67D, LEU99B, LEU99D, LYS105B, LYS105D, LYS157B, LYS157D, LYS159B, LYS159D, LYS171B, LYS171D, LYS21B, LYS21D, LYS4B, LYS4D, LYS65B, LYS65D, MET102B, MET102D, MET10B, MET10D, MET120B, MET120D, MET154B, MET154D, MET172B, MET172D, MET69B, MET69D, PHE149B, PHE149D, PHE36B, PHE36D, PRO111B, PRO111D, PRO113B, PRO113D, PRO150B, PRO150D, PRO155B, PRO155D, PRO98B, PRO98D, SER144B, SER144D, SER145B, SER145D, SER167B, SER167D, SER195B, SER195D, SER23B, SER23D, SER26B, SER26D, SER34B, SER34D, SER63B, SER63D, THR22B, THR22D, THR33B, THR33D, TRP101B, TRP101D, TRP124B, TRP124D, TRP126D, TRP146B, TRP146D, TRP9B, TRP9D, TYR164B, TYR164D, TYR31B, TYR31D, TYR95B, TYR95D, VAL109B, VAL109D, VAL119B, VAL119D, VAL121B, VAL121D, VAL153B, VAL153D, VAL15B, VAL15D, VAL160B, VAL160D, VAL165B, VAL165D, VAL175B, VAL175D, VAL24B, VAL24D, VAL35B, VAL35D, VAL66B, VAL66D
• B-E: ASN152B, ASN152E
• B-F: ALA147B, ALA147F, ALA168B, ALA168F, ALA170B, ALA170F, ALA176B, ALA176F, ALA177B, ALA177F, ALA179B, ALA179F, ARG242B, ARG242F, ARG269B, ARG269F, ASN166B, ASN166F, ASP186B, ASP186F, ASP243B, ASP243F, ASP267B, ASP267F, GLU173B, GLU173F, GLU187B, GLU187F, GLU188B, GLU188F, GLY178B, GLY178F, GLY189B, GLY189F, ILE142B, ILE142F, LEU169B, LEU169F, LEU183B, LEU183F, LEU184B, LEU184F, LEU185B, LEU185F, MET172B, MET172F, SER144B, SER144F, SER145B, SER145F, THR143B, THR143F, THR241B, THR241F, TRP146B, TRP146F, TRP268B, TRP268F, TYR190B, TYR190F, TYR246B, TYR246F, VAL175B, VAL175F
• C-D: ASN152C, ASN152D
• C-E: ALA147C, ALA147E, ALA168C, ALA168E, ALA170C, ALA170E, ALA174C, ALA174E, ALA176C, ALA176E, ALA177C, ALA177E, ALA179C, ALA179E, ARG242C, ARG242E, ARG269C, ARG269E, ASN166C, ASN166E, ASP186C, ASP186E, ASP243C, ASP243E, ASP267C, ASP267E, GLU173C, GLU173E, GLU187C, GLU187E, GLU188C, GLU188E, GLY178C, GLY178E, GLY189C, GLY189E, ILE142C, ILE142E, ILE266E, LEU169C, LEU169E, LEU183C, LEU183E, LEU184C, LEU184E, LEU185C, LEU185E, MET172C, MET172E, SER144C, SER144E, SER145C, SER145E, THR143C, THR143E, THR241C, THR241E, TRP146C, TRP146E, TRP268C, TRP268E, TYR190C, TYR190E, TYR246C, TYR246E, VAL175C, VAL175E
• C-F: ALA100C, ALA100F, ALA104C, ALA104F, ALA106C, ALA106F, ALA122C, ALA122F, ALA123C, ALA123F, ALA147C, ALA147F, ALA151C, ALA151F, ALA158C, ALA158F, ALA168C, ALA168F, ALA170C, ALA170F, ALA174C, ALA174F, ALA176C, ALA176F, ALA177C, ALA177F, ALA182C, ALA182F, ALA20C, ALA20F, ALA28C, ALA28F, ALA5C, ALA5F, ALA64C, ALA64F, ARG148C, ARG148F, ARG68C, ARG68F, ARG97C, ARG97F, ASN110C, ASN110F, ASN114C, ASN114F, ASN115C, ASN115F, ASN11C, ASN11F, ASN152C, ASN152F, ASN163C, ASN163F, ASN166C, ASN166F, ASP186C, ASP186F, GLN17C, GLN17F, GLN2C, GLN2F, GLU118C, GLU118F, GLU173C, GLU173F, GLU181C, GLU181F, GLU187C, GLU187F, GLU188C, GLU188F, GLU18C, GLU18F, GLU197C, GLU197F, GLU19C, GLU19F, GLU37C, GLU37F, GLY103C, GLY103F, GLY108C, GLY108F, GLY156C, GLY156F, GLY161C, GLY161F, GLY162C, GLY162F, GLY189C, GLY189F, GLY196C, GLY196F, GLY32C, GLY32F, GLY38F, GLY6C, GLY6F, HIS27C, HIS27F, HIS30C, HIS30F, ILE3C, ILE3F, ILE8C, ILE8F, LEU107C, LEU107F, LEU112C, LEU112F, LEU169C, LEU169F, LEU184C, LEU184F, LEU185C, LEU185F, LEU25C, LEU25F, LEU29C, LEU29F, LEU67C, LEU67F, LEU99C, LEU99F, LYS105C, LYS105F, LYS157C, LYS157F, LYS159C, LYS159F, LYS171C, LYS171F, LYS21C, LYS21F, LYS4C, LYS4F, LYS65C, LYS65F, MET102C, MET102F, MET10C, MET10F, MET120C, MET120F, MET154C, MET154F, MET172C, MET172F, MET69C, MET69F, PHE149C, PHE149F, PHE36C, PHE36F, PRO111C, PRO111F, PRO113C, PRO113F, PRO150C, PRO150F, PRO155C, PRO155F, PRO98C, PRO98F, SER144C, SER144F, SER145C, SER145F, SER167C, SER167F, SER195C, SER195F, SER23C, SER23F, SER26C, SER26F, SER34C, SER34F, SER63C, SER63F, THR22C, THR22F, THR33C, THR33F, TRP101C, TRP101F, TRP124C, TRP124F, TRP146C, TRP146F, TRP9C, TRP9F, TYR164C, TYR164F, TYR31C, TYR31F, TYR95C, TYR95F, VAL109C, VAL109F, VAL119C, VAL119F, VAL121C, VAL121F, VAL153C, VAL153F, VAL15C, VAL15F, VAL160C, VAL160F, VAL165C, VAL165F, VAL175C, VAL175F, VAL24C, VAL24F, VAL35C, VAL35F, VAL66C, VAL66F
• D-E: ALA147D, ALA151E, ALA158E, ALA192E, ALA240D, ALA240E, ALA248D, ALA64E, ARG148E, ARG203D, ARG239D, ARG239E, ARG242D, ARG269D, ARG52E, ARG59E, ARG68E, ASN152E, ASN163E, ASN215E, ASN62E, ASP186D, ASP186E, ASP204D, ASP222E, ASP243D, ASP249D, ASP267D, GLN236D, GLN244D, GLU187D, GLU187E, GLU188D, GLU188E, GLU211D, GLU211E, GLU217E, GLU234D, GLU55E, GLU70E, GLY156E, GLY189D, GLY272D, GLY274D, HIS212E, ILE219E, ILE266D, ILE271D, LEU112E, LEU185D, LEU216E, LEU245D, LEU67E, LYS157E, LYS159E, LYS229E, LYS273D, LYS58E, LYS65E, MET154E, MET247D, MET265D, MET69E, PHE149E, PHE201D, PHE60E, PRO111E, PRO150E, PRO155E, PRO270D, SER144D, SER145D, SER213E, SER264D, SER63E, THR143D, THR241D, TRP268D, TYR190D, TYR190E, TYR208D, TYR246D, TYR61E, VAL153E, VAL160E, VAL191D, VAL191E, VAL214E, VAL237D, VAL237E, VAL238D, VAL66E
• D-F: ALA147F, ALA151D, ALA158D, ALA192D, ALA240D, ALA240F, ALA248F, ALA64D, ARG148D, ARG203F, ARG239D, ARG239F, ARG242F, ARG269F, ARG52D, ARG59D, ARG68D, ASN152D, ASN163D, ASN215D, ASN62D, ASP186D, ASP186F, ASP204F, ASP222D, ASP243F, ASP249F, ASP267F, GLN236F, GLN244F, GLU187D, GLU187F, GLU188D, GLU188F, GLU211D, GLU211F, GLU217D, GLU234F, GLU55D, GLU70D, GLY156D, GLY189F, GLY272F, GLY274F, HIS212D, ILE219D, ILE266F, ILE271F, LEU112D, LEU185F, LEU216D, LEU245F, LEU67D, LYS157D, LYS229D, LYS273F, LYS58D, LYS65D, MET154D, MET247F, MET265F, MET69D, PHE149D, PHE201F, PRO111D, PRO150D, PRO155D, PRO270F, SER144F, SER213D, SER264F, SER63D, THR143F, THR241F, TRP268F, TYR190D, TYR190F, TYR208F, TYR246F, TYR61D, VAL153D, VAL160D, VAL191D, VAL191F, VAL214D, VAL237D, VAL237F, VAL238F, VAL66D
• E-F: ALA147E, ALA151F, ALA158F, ALA192F, ALA240E, ALA240F, ALA248E, ALA64F, ARG148F, ARG203E, ARG221F, ARG239E, ARG239F, ARG242E, ARG269E, ARG52F, ARG59F, ARG68F, ASN152F, ASN163F, ASN215F, ASN62F, ASP186E, ASP186F, ASP204E, ASP243E, ASP249E, ASP267E, GLN236E, GLN244E, GLU187E, GLU187F, GLU188E, GLU188F, GLU211E, GLU211F, GLU217F, GLU234E, GLU55F, GLU70F, GLY156F, GLY189E, GLY272E, GLY274E, HIS212F, ILE219F, ILE266E, ILE271E, LEU112F, LEU185E, LEU210F, LEU216F, LEU245E, LEU67F, LYS157F, LYS159F, LYS229F, LYS273E, LYS58F, LYS65F, MET154F, MET247E, MET265E, MET69F, PHE149F, PHE201E, PRO111F, PRO150F, PRO155F, PRO270E, SER144E, SER213F, SER264E, SER63F, THR143E, THR241E, TRP268E, TYR190E, TYR190F, TYR208E, TYR246E, TYR61F, VAL153F, VAL160F, VAL191E, VAL191F, VAL214F, VAL237E, VAL237F, VAL238E, VAL238F, VAL66F