Structure of PDB 4pfy Chain B Binding Site BS03

Receptor Information
>4pfy Chain B (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 chain4pfy Chain D Residue 3 [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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PDB4pfy Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y461 N540
Binding residue
(residue number reindexed from 1)		Y440 N519
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:4pfy, PDBe:4pfy, PDBj:4pfy
PDBsum4pfy
PubMed25210043
UniProtQ9X0V0

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