Structure of PDB 3k28 Chain D Binding Site BS01

Receptor Information
>3k28 Chain D (length=420) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKFDKSIAAFEEAQDLMPGGVNSPVRAFKSVGMNPLFMERGKGSKVYDI
DGNEYIDYVLSWGPLIHGHANDRVVEALKAVAERGTSFGAPTEIENKLAK
LVIERVPSIEIVRMVNSGTEATMSALRLARGYTGRNKILKFIGCYHGHGD
SLLIKALPDSPGVPEGVAKNTITVAYNDLESVKYAFEQFGDDIACVIVEP
VAGNMGVVPPQPGFLEGLREVTEQNGALLIFDEVMTGFRVAYNCGQGYYG
VTPDLTCLGKVIGGGLPVGAYGGKAEIMRQVAPSGPIYQAGTLSGNPLAM
AAGYETLVQLTPESYVEFERKAEMLEAGLRKAAEKHGIPHHINRAGSMIG
IFFTDEPVINYDAAKSSNLQFFAAYYREMVEQGVFLPPSQFEGLFLSTVH
SDADIEATIAAAEIAMSKLK
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 chain3k28 Chain D Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3k28 Crystal Structure of a glutamate-1-semialdehyde aminotransferase from Bacillus anthracis with bound Pyridoxal 5'Phosphate
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G118 T119 Y145 H146 E207 N212 D240 V242 M243 K268
Binding residue
(residue number reindexed from 1)		G118 T119 Y145 H146 E199 N204 D232 V234 M235 K260
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 E199 D232 M235 K260 G393
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:3k28, PDBe:3k28, PDBj:3k28
PDBsum3k28
PubMed
UniProtQ81LD0|GSA2_BACAN Glutamate-1-semialdehyde 2,1-aminomutase 2 (Gene Name=hemL2)

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