Structure of PDB 4x4k Chain A Binding Site BS01

Receptor Information
>4x4k Chain A (length=525) Species: 139639 (Botrytis aclada) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSIDTNWYDVTPTGVTREYWLSVENSTITPDGYTRSAMTFNGTVPGPAII
ADWGDNLIIHVTNNLEHNGTSIHWHGIRQLGSLEYDGVPGVTQCPIAPGD
TLTYKFQVTQYGTTWYHSHFSLQYGDGLFGPLIINGPATADYDEDVGVIF
LQDWAHESVFEIWDTARLGAPPALENTLMNGTNTFDCSASTDPNCVGGGK
KFELTFVEGTKYRLRLINVGIDSHFEFAIDNHTLTVIANDLVPIVPYTTD
TLLIGIGQRYDVIVEANAAADNYWIRGNWGTTCSTNNEAANATGILRYDS
SSIANPTSVGTTPRGTCEDEPVASLVPHLALDVGGYSLVDEQVSSAFTNY
FTWTINSSSLLLDWSSPTTLKIFNNETIFPTEYNVVALEQEEWVVYVIED
LTGFGIWHPIHLHGHDFFIVAQETDVFNSDESPAKFNLVNPPRRDVAALP
GNGYLAIAFKLDNPGSWLLHCHIAWHASEGLAMQFVESQSSIAVKMTDTA
IFEDTCANWNAYTPTQLFAEDDSGI
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 chain4x4k Chain B 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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PDB4x4k Incorporation of copper ions into crystals of T2 copper-depleted laccase from Botrytis aclada.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E175 D178
Binding residue
(residue number reindexed from 1)		E161 D164
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H87 H89 H131 H133 H426 H429 H431 H488 C489 H490 I491 H494 L499
Catalytic site (residue number reindexed from 1) H73 H75 H117 H119 H408 H411 H413 H470 C471 H472 I473 H476 L481
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4x4k, PDBe:4x4k, PDBj:4x4k
PDBsum4x4k
PubMed26625287
UniProtH8ZRU2

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