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BioLiP

Structure of PDB 1ecx Chain B Binding Site BS01

Receptor Information
>1ecx Chain B (length=365) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVYFDNNATTRVDDRVLEEMIVFYREKYGNPNSAHGMGIEANLHMEKAR
EKVAKVLGVSPSEIFFTSCATESINWILKTVAETFEKRKRTIITTPIEHK
AVLETMKYLSMKGFKVKYVPVDSRGVVKLEELEKLVDEDTFLVSIMAANN
EVGTIQPVEDVTRIVKKKNKETLVHVDAVQTIGKIPFSLEKLEVDYASFS
AHKFHGPKGVGITYIRKGVPIRPLIHGGGQERGLRSGTQNVPGIVGAARA
MEIAVEELSEAAKHMEKLRSKLVSGLMNLGAHIITPLEISLPNTLSVSFP
NIRGSTLQNLLSGYGIYVSTRHVLDAMGVDRRIAQGAIRISLCKYNTEEE
VDYFLKKIEEILSFL
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 chain1ecx Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ecx Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C69 A70 T71 H99 N150 D177 V179 S200 H202 K203
Binding residue
(residue number reindexed from 1)		C69 A70 T71 H99 N150 D177 V179 S200 H202 K203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 D177 V179 Q180 H202 K203
Catalytic site (residue number reindexed from 1) H99 D177 V179 Q180 H202 K203
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
Biological Process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links

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