Structure of PDB 5i92 Chain F Binding Site BS01

Receptor Information
>5i92 Chain F (length=420) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRSETLFNNAQKHIPGGVNSPVRAFKSVGGTPLFFKHAEGAYVLDEDDK
RYVDYVGSWGPMILGHSHPDVLDAVRRQLDHGLSYGAPTALEVEMADLVC
SMVPSMEMVRMVSSGTEATMSAIRLARGYTGRDSIIKFEGCYHGHSDSLL
VKAGSTFGVPNSPGVPAAFAKHTLTLPFNDIEAVRKTLGEVGKEVACIIV
EPVAGNMNCVPPAPGFLEGLREACDEHGVVLIFDEVMTGFRVALGGAQAY
YGVTPDLSTFGKIIGGGMPVGAFGGKREIMQQISPLGPVYQAGTGNPLAM
AAGLTTLRLISRPGFHDELTAYTTRMLDGLQQRADAAGIPFVTTQAGGMF
GLYFSGADAIVTFEDVMASDVERFKRFFHLMLDGGVYLAPSAFEAGFTSI
AHGDKELEITLNAAEKAFAA
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain5i92 Chain F Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i92 Crystal structure of Glutamate-1-semialdehyde 2,1- aminomutase (GSA) from Pseudomonas aeruginosa
Resolution1.75 Å
Binding residue
(original residue number in PDB)		A422 F423 A425
Binding residue
(residue number reindexed from 1)		A417 F418 A420
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V19 Y142 E204 D237 M240 K265 A400
Catalytic site (residue number reindexed from 1) V19 Y142 E201 D234 M237 K262 A395
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:5i92, PDBe:5i92, PDBj:5i92
PDBsum5i92
PubMed
UniProtP48247|GSA_PSEAE Glutamate-1-semialdehyde 2,1-aminomutase (Gene Name=hemL)

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