Structure of PDB 4pft Chain A Binding Site BS01

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 1 [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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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)		A33 W35 W387 N433 F434 W539
Binding residue
(residue number reindexed from 1)		A12 W14 W366 N412 F413 W518
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
View graph for
Cellular Component
External links
PDB RCSB:4pft, PDBe:4pft, PDBj:4pft
PDBsum4pft
PubMed25210043
UniProtQ9X0V0

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