Structure of PDB 2zsm Chain C Binding Site BS02

Receptor Information
>2zsm Chain C (length=419) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKSRMLFERTKELFPGGVNSPVRAAVKPYPFYVKRGEGAYLYTVDGARIV
DLVLAYGPLILGHKHPRVLEAVEEALARGWLYGAPGEAEVLLAEKILGYV
KRGGMIRFVNSGTEATMTAIRLARGYTGRDLILKFDGCYHGSHDAVLVAA
GGVPTSAGVPEAVARLTLVTPYNDVEALERVFAEYGDRIAGVIVEPVIAN
AGVIPPRREFLAALQRLSRESGALLILDEVVTGFRLGLEGAQGYFNIEGD
IIVLGKIIGGGFPVGAVAGSREVMSLLTPQGKVFNAGTFNAHPITMAAGL
ATLKALEEEPVYSVSREAAKALEEAASEVLDRTGLPYTINRVESMMQLFI
GVEEVSNAAQARKADKKFYVKLHEEMLRRGVFIAPSNLEAVFTGLPHQGE
ALEIAVEGLRSSLKTVLGS
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 chain2zsm Chain C Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zsm Crystal structure of glutamate-1-semialdehyde 2,1-aminomutase from Aeropyrum pernix
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S120 G121 T122 Y148 H149 E210 N215 D243 V245 K271
Binding residue
(residue number reindexed from 1)		S111 G112 T113 Y139 H140 E195 N200 D228 V230 K256
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V27 Y148 E210 D243 V246 K271 A405
Catalytic site (residue number reindexed from 1) V18 Y139 E195 D228 V231 K256 A390
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:2zsm, PDBe:2zsm, PDBj:2zsm
PDBsum2zsm
PubMed
UniProtQ9Y9I9|GSA_AERPE Glutamate-1-semialdehyde 2,1-aminomutase (Gene Name=hemL)

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