Structure of PDB 5m49 Chain A Binding Site BS01

Receptor Information
>5m49 Chain A (length=423) Species: 363754 (Rhizobium freirei PRF 81) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNLYGRDGAAIGSLQKLRFFPLAVAGGQGARLVEEDGRELIDLSGAWGAA
SLGYGHPAIIEAVSRAAANPAGASILSASNAPAVALAERLTASFPRGTHK
VWFGHSGSDANEAAYRAITRATGRTGVIAFIGAYHGCTVGSMAFSKADGL
ILLPYPDPYRPYQDDPTGDAVLALLKERLAAVPAGSIAAAFIEPIQSDGG
LIVPPDGFLRKFADICRAHGISVVCDEVKVGLARSGRLHCFEHEGFVPDI
LVLGKGLGGGLPLSAVIAPAEILDCASAFAMQTLHGNPVCAAAGLAVLET
IEAENLTTAAERKGKLLREGLARLAERHELIGDIRGRGLACGVELVRNRQ
SREPARAETAKLIYRAYELGLVLYYVGMNGNVLEMTPPLTMTEDEVRHAV
NLLDQAFTELTVSDTLVSQFAGW
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5m49 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m49 Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Resolution1.51 Å
Binding residue
(original residue number in PDB)		S109 G110 S111 Y137 H138 D238 V240 K241 K267
Binding residue
(residue number reindexed from 1)		S106 G107 S108 Y134 H135 D226 V228 K229 K255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q17 Y137 E205 D238 K241 K267 T295 E396
Catalytic site (residue number reindexed from 1) Q15 Y134 E193 D226 K229 K255 T283 E384
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008453 alanine-glyoxylate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009436 glyoxylate catabolic process
GO:0019481 L-alanine catabolic process, by transamination

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5m49, PDBe:5m49, PDBj:5m49
PDBsum5m49
PubMed
UniProtN6UXY4

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