Structure of PDB 4qi7 Chain B Binding Site BS03

Receptor Information
>4qi7 Chain B (length=792) Species: 367110 (Neurospora crassa OR74A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAPKTFTHPDTGIVFNTWSASDSQTKGGFTVGMALPSNALTTDATEFIGY
LECSSAKNGANSGWCGVSLRGAMTNNLLITAWPSDGEVYTNLMFATGYAM
PKNYAGDAKITQIASSVNATHFTLVFRCQNCLSWDQDGVTGGISTSNKGA
QLGWVQAFPSPGNPTCPTQITLSQHDNGMGQWGAAFDSNIANPSYTAWAA
KATKIAATPVPTGVSFDYIVVGGGAGGIPVADKLSESGKSVLLIEKGFAS
TGEHGGTLKPEWLNNTSLTRFDVPGLCNQIWKDSDGIACSDTDQMAGCVL
GGGTAINAGLWYKPYTKDWDYLFPSGWKGSDIAGATSRALSRIPGTTTPS
QDGKRYLQQGFEVLANGLKASGWKEVDSLKDSEQKNRTFSHTSYMYINGE
RGGPLATYLVSAKKRSNFKLWLNTAVKRVIREGGHITGVEVEAFRNGGYS
GIIPVTNTTGRVVLSAGTFGSAKILLRSGIGPKDQLEVVKASADGPTMVS
NSSWIDLPVGHNLVDHTNTDTVIQHNNVTFYDFYKAWDNPNTTDMNLYLN
GRSGIFAQAAPNIGPLFWEEITGADGIVRQLHWTARVEGSFETPDGYAMT
MSQYLGRGATSRGRMTLSPTLNTVVSDLPYLKDPNDKAAVVQGIVNLQKA
LANVKGLTWAYPSANQTAADFVDKQPVTYQSRRSNHWMGTNKMGTDDGRS
GGTAVVDTNTRVYGTDNLYVVDASIFPGVPTTNPTAYIVVAAEHAAAKIL
AQPANEAVPKWGWCGGPTYTGSQTCQAPYKCEKQNDWYWQCV
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]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
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4qi7 Chain B Residue 909 [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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PDB4qi7 Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T222 G461
Binding residue
(residue number reindexed from 1)		T208 G447
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T557 S616 Y618 S698 H700 T746 N747
Catalytic site (residue number reindexed from 1) T543 S602 Y604 S684 H686 T732 N733
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0016787 hydrolase activity
GO:0030248 cellulose binding
GO:0046872 metal ion binding
GO:0047735 cellobiose dehydrogenase (acceptor) activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qi7, PDBe:4qi7, PDBj:4qi7
PDBsum4qi7
PubMed26151670
UniProtQ7RXM0

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