Structure of PDB 1wkg Chain A Binding Site BS01

Receptor Information
>1wkg Chain A (length=387) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WRALLEAEKTLDSGVYNKHDLLIVRGQGARVWDAEGNEYIDCVGGYGVAN
LGHGNPEVVEAVKRQAETLMAMPQTLPTPMRGEFYRTLTAILPPELNRVF
PVNSGTEANEAALKFARAHTGRKKFVAAMRGFSGRTMGSLSVTWEPKYRE
PFLPLVEPVEFIPYNDVEALKRAVDEETAAVILEPVQGEGGVRPATPEFL
RAAREITQEKGALLILDEIQTGMGRTGKRFAFEHFGIVPDILTLAKALGG
GVPLGVAVMREEVARSMPKGGHGTTFGGNPLAMAAGVAAIRYLERTRLWE
RAAELGPWFMEKLRAIPSPKIREVRGMGLMVGLELKEKAAPYIARLEKEH
RVLALQAGPTVIRFLPPLVIEKEDLERVVEAVRAVLA
Ligand information
Ligand IDPOI
InChIInChI=1S/C15H24N3O8P/c1-9-14(20)12(11(6-17-9)8-26-27(23,24)25)7-16-5-3-4-13(15(21)22)18-10(2)19/h6,13,16,20H,3-5,7-8H2,1-2H3,(H,18,19)(H,21,22)(H2,23,24,25)/t13-/m0/s1
InChIKeyQIZZUQLTAZUUFQ-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(C(=O)O)NC(=O)C)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC[C@@H](C(=O)O)NC(=O)C)O
CACTVS 3.341CC(=O)N[CH](CCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O)(O)O
CACTVS 3.341CC(=O)N[C@@H](CCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
FormulaC15 H24 N3 O8 P
NameN~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE
ChEMBL
DrugBank
ZINCZINC000016051622
PDB chain1wkg Chain A Residue 1513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1wkg Acetylornithine aminotransferase from thermus thermophilus HB8
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y24 Y54 G113 T114 F140 S141 R143 E192 D225 I227 Q228 K254
Binding residue
(residue number reindexed from 1)		Y16 Y46 G105 T106 F132 S133 R135 E184 D217 I219 Q220 K246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S21 F140 E192 D225 Q228 K254 T283 R371
Catalytic site (residue number reindexed from 1) S13 F132 E184 D217 Q220 K246 T275 R363
Enzyme Commision number 2.6.1.118: [amino group carrier protein]-gamma-(L-lysyl)-L-glutamate aminotransferase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wkg, PDBe:1wkg, PDBj:1wkg
PDBsum1wkg
PubMed
UniProtQ5SHH5|LYSJ_THET8 [LysW]-aminoadipate semialdehyde transaminase (Gene Name=lysJ)

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