Structure of PDB 6w80 Chain A Binding Site BS01

Receptor Information
>6w80 Chain A (length=430) Species: 522373 (Stenotrophomonas maltophilia K279a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHHHHMNHDQSHALFSRAQQLLPGGVNSPVRAFKSVGGEPFFVERADGAY
LYDVDGNRYIDYVGSWGPMIVGHNHPAVRQAVKKAIDNGLSFGAPCAGEV
TMAETITRLVPSCEMVRMVNSGTEATLSAIRLARGATGRNRIVKFEGCYH
GHGDSFLVKAMLTLGVPTSPGVPAGLSELTLTLPYNDFEAATALFEQQGD
DIAGLIIEPVVGNANCIPPREGYLQHLRALCTKHGALLIFDEVMTGFRVA
LGGAQAHYGITPDLTTFGKIIGGGMPVGAYGGRRELMQQIAPAGPIYQAG
TLSGNPVAMAAGLAMLELVQQPGFHADLAERTARLCAGLEAAAADAGVAV
TTTRVGAMFGLFFTSEKVETYAQATACDIPAFNRFFHAMLEQGVFLAPSA
YEAGFLSSAHDDAVIEATLAAARVAFRAAK
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 chain6w80 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6w80 Crystal structure of Glutamate-1-semialdehyde 2,1-aminomutase from Stenotrophomonas maltophilia K279a in complex with PLP
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S116 G117 T118 Y144 H145 E206 N211 D239 V241 K267
Binding residue
(residue number reindexed from 1)		S121 G122 T123 Y149 H150 E208 N213 D241 V243 K269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V21 Y144 D239 K267
Catalytic site (residue number reindexed from 1) V26 Y149 D241 K269
Enzyme Commision number 5.4.3.8: glutamate-1-semialdehyde 2,1-aminomutase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016853 isomerase activity
GO:0030170 pyridoxal phosphate binding
GO:0042286 glutamate-1-semialdehyde 2,1-aminomutase activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0033014 tetrapyrrole biosynthetic process
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:6w80, PDBe:6w80, PDBj:6w80
PDBsum6w80
PubMed
UniProtB2FT35|GSA_STRMK Glutamate-1-semialdehyde 2,1-aminomutase (Gene Name=hemL)

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