Structure of PDB 5m49 Chain A Binding Site BS02

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 ID8F4
InChIInChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
InChIKeyBOWUOGIPSRVRSJ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH]1CCCCNC1=O
OpenEye OEToolkits 2.0.6C1CCNC(=O)[C@H](C1)N
CACTVS 3.385N[C@H]1CCCCNC1=O
OpenEye OEToolkits 2.0.6C1CCNC(=O)C(C1)N
FormulaC6 H12 N2 O
Name(3~{S})-3-azanylazepan-2-one
ChEMBLCHEMBL288850
DrugBank
ZINCZINC000003785353
PDB chain5m49 Chain A Residue 502 [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)		L19 W49 Y137 D210 K267 W436
Binding residue
(residue number reindexed from 1)		L17 W47 Y134 D198 K255 W423
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

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

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