Structure of PDB 4pfy Chain A Binding Site BS06

Receptor Information
>4pfy Chain A (length=539) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFERNKTLYWGGALWSPPSNWNPFTPWNAVAGTIGLVYEPLFLYDPLNDK
FEPWLAEKGEWVSNNEYVLTLRKGLRWQDGVPLTADDVVFTFEIAKKYTG
ISYSPVWNWLGRIERVDERTLKFVFSDPRYQEWKQMLINTPIVPKHIWEN
KTEEEVLQAANENPVGSGPYYVESWADDRCVFKKNGNWWGIRELGYDPKP
ERIVELRVLSNNVAVGMLMKGELDWSNFFLPGVPVLKKAYGIVTWYENAP
YMLPANTAGIYINVNKYPLSIPEFRRAMAYAINPEKIVTRAYENMVTAAN
PAGILPLPGYMKYYPKEVVDKYGFKYDPEMAKKILDELGFKDVNKDGFRE
DPNGKPFKLTIECPYGWTDWMVSIQSIAEDLVKVGINVEPKYPDYSKYAD
DLYGGKFDLILNNFTTGVSATIWSYFNGVFYPDAVESEYSYSGNFGKYAN
PEVETLLDELNRSNDDAKIKEVVAKLSEILLKDLPFIPLWYNGAWFQASE
AVWTNWPTEKNPYAVPIGWNGWWQLTGIKTLFGIEAKHH
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 C Residue 6 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		N231 N247 F248 F249 W387 D389 W390 W515
Binding residue
(residue number reindexed from 1)		N211 N227 F228 F229 W367 D369 W370 W495
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:4pfy, PDBe:4pfy, PDBj:4pfy
PDBsum4pfy
PubMed25210043
UniProtQ9X0V0

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