Structure of PDB 3bs8 Chain A Binding Site BS01

Receptor Information
>3bs8 Chain A (length=430) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRSYEKSKTAFKEAQKLMPGGVNSPVRAFKSVDMDPIFMERGKGSKIFDI
DGNEYIDYVLSWGPLILGHTNDRVVESLKKVAEYGTSFGAPTEVENELAK
LVIDRVPSVEIVRMVSSGTEATMSALRLARGYTGRNKILKFEGCYHGHGD
SLLIKAGSGVATLGLPDSPGVPEGIAKNTITVPYNDLESVKLAFQQFGED
IAGVIVEPVAGNMGVVPPQEGFLQGLRDITEQYGSLLIFDEVMTGFRVDY
NCAQGYFGVTPDLTCLGKVIGGGLPVGAYGGKAEIMEQIAPSGPIYQAGT
LSGNPLAMTAGLETLKQLTPDSYKNFIKKGDRLEEGISKAAEAHGIPHTF
NRAGSMIGFFFTNEPVINYETAKASDLKLFASYYKGMANEGVFLPPSQFE
GLFLSTAHTDEDIENTIQAAEKVFAEISRR
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain3bs8 Chain A Residue 431 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bs8 Crystal structure of Glutamate1-semialdehyde aminotransferase from Bacillus subtilis with bound pyridoxamine-5'-phosphate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G118 T119 Y145 H146 E207 N212 D240 V242 K268
Binding residue
(residue number reindexed from 1)		G118 T119 Y145 H146 E207 N212 D240 V242 K268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V22 Y145 E207 D240 M243 K268 G401
Catalytic site (residue number reindexed from 1) V22 Y145 E207 D240 M243 K268 G401
Enzyme Commision number 5.4.3.8: glutamate-1-semialdehyde 2,1-aminomutase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
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:3bs8, PDBe:3bs8, PDBj:3bs8
PDBsum3bs8
PubMed20946885
UniProtP30949|GSA_BACSU Glutamate-1-semialdehyde 2,1-aminomutase (Gene Name=hemL)

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