Structure of PDB 4pfy Chain A Binding Site BS01

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 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		S122 Y123 E152 Y451 S462
Binding residue
(residue number reindexed from 1)		S102 Y103 E132 Y431 S442
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4pfy, PDBe:4pfy, PDBj:4pfy
PDBsum4pfy
PubMed25210043
UniProtQ9X0V0

[Back to BioLiP]