Structure of PDB 4pft Chain A Binding Site BS02

Receptor Information
>4pft Chain A (length=537) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FERNKTLYWGGALWSPPSNWNPFTPWNAVAGTIGLVYEPLFLYDPLNDKF
EPWLAEKGEWVSNNEYVLTLRKGLRWQDGVPLTADDVVFTFEIAKKYTGI
SYSPVWNWLGRIERVDERTLKFVFSDPRYQEWKQMLINTPIVPKHIWENK
TEEEVLQAANENPVGSGPYYVESWADDRCVFKKNGNWWGIRELGYDPKPE
RIVELRVLSNNVAVGMLMKGELDWSNFFLPGVPVLKKAYGIVTWYENAPY
MLPANTAGIYINVNKYPLSIPEFRRAMAYAINPEKIVTRAYENMVTAANP
AGILPLPGYMKYYPKEVVDKYGFKYDPEMAKKILDELGFKDVNKDGFRED
PNGKPFKLTIECPYGWTDWMVSIQSIAEDLVKVGINVEPKYPDYSKYADD
LYGGKFDLILNNFTTGVSATIWSYFNGVFYPDAVESEYSYSGNFGKYANP
EVETLLDELNRSNDDAKIKEVVAKLSEILLKDLPFIPLWYNGAWFQASEA
VWTNWPTEKNPYAVPIGWNGWWQLTGIKTLFGIEAKH
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain4pft Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pft Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
Resolution1.747 Å
Binding residue
(original residue number in PDB)		W35 N231 N247 F248 F249 W387 D389 W390 W515
Binding residue
(residue number reindexed from 1)		W14 N210 N226 F227 F228 W366 D368 W369 W494
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pft, PDBe:4pft, PDBj:4pft
PDBsum4pft
PubMed25210043
UniProtQ9X0V0

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