Structure of PDB 2e7u Chain A Binding Site BS01

Receptor Information
>2e7u Chain A (length=424) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERPISEAYFQEAKRHIPGGVSSPVRAFKAVGGTPPFLVRGEGAYVWDAD
GNRYLDYVMSWGPLILGHAHPKVLARVRETLERGLTFGAPSPLEVALAKK
VKRAYPFVDLVRFVNSGTEATMSALRLARGYTGRPYIVKFRGNYHGHADG
LLVEAGSGALTLGVPSSAGVPEEYAKLTLVLEYNDPEGLREVLKRRGEEI
AAIIFEPVVGNAGVLVPTEDFLKALHEAKAYGVLLIADEVMTGFRLAFGG
ATELLGLKPDLVTLGKILGGGLPAAAYAGRREIMEKVAPLGPVYQAGTLS
GNPLAMAAGLATLELLEENPGYYAYLEDLGARLEAGLKEVLKEKGLPHTV
NRVGSMITVFFTEGPVVTFQDARRTDTELFKRFFHGLLDRGIYWPPSNFE
AAFLSVAHREEDVEKTLEALRKAL
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 chain2e7u Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e7u Crystal structure of glutamate-1-semialdehyde 2,1-aminomutase from Thermus thermophilus HB8
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G117 T118 Y144 H145 N211 D238 V240
Binding residue
(residue number reindexed from 1)		G117 T118 Y144 H145 N211 D238 V240
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V21 Y144 E206 D238 M241 K266 A401
Catalytic site (residue number reindexed from 1) V21 Y144 E206 D238 M241 K266 A401
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:2e7u, PDBe:2e7u, PDBj:2e7u
PDBsum2e7u
PubMed
UniProtQ5SJS4|GSA_THET8 Glutamate-1-semialdehyde 2,1-aminomutase (Gene Name=hemL)

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