Structure of PDB 5d85 Chain A Binding Site BS01

Receptor Information
>5d85 Chain A (length=313) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDSLLDSVGQTPMVQLHQLFPKHEVFAKLEYMNPGGSMKDRPAKYIIEHG
IKHGLITENTHLIESTSGNLGIALAMIAKIKGLKLTCVVDPKISPTNLKI
IKSYGANVEMVEEPDAHGGYLMTRIAKVQELLATIDDAYWINQYANELNW
QSHYHGAGTEIVETIKQPIDYFVAPVSTTGSIMGMSRKIKEVHPNAQIVA
VDAKGSVIFGDKPINRELPGIGASRVPEILNRSEINQVIHVDDYQSALGC
RKLIDYEGIFAGGSTGSIIAAIEQLITSIEEGATIVTILPDRGDRYLDLV
YSDTWLEKMKSRQ
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain5d85 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d85 Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		S75 K100 G127 Y128 L129 R132 R224 A231 S232
Binding residue
(residue number reindexed from 1)		S67 K92 G119 Y120 L121 R124 R216 A223 S224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K47 S272
Catalytic site (residue number reindexed from 1) K39 S264
Enzyme Commision number 2.5.1.140: N-(2-amino-2-carboxyethyl)-L-glutamate synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019344 cysteine 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:5d85, PDBe:5d85, PDBj:5d85
PDBsum5d85
PubMed26794841
UniProtA6QDA0|SBNA_STAAE N-(2-amino-2-carboxyethyl)-L-glutamate synthase (Gene Name=sbnA)

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