Structure of PDB 4za7 Chain A Binding Site BS04

Receptor Information
>4za7 Chain A (length=500) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPAHLCFRSFVEALKVDNDLVEINTPIDPNLEAAAITRRVCETNDKAPLF
NNLIGMKNGLFRILGAPGSLRKSSADRYGRLARHLALPPTASMREILDKM
LSASDMPPIPPTIVPTGPCKENSLDDSEFDLTELPVPLIHKSDGGKYIQT
YGMHIVQSPDGTWTNWSIARAMVHDKNHLTGLVIPPQHIWQIHQMWKKEG
RSDVPWALAFGVPPAAIMASSMPIPDGVTEAGYVGAMTGSSLELVKCDTN
DLYVPATSEIVLEGTLSISETGPEGPFGEMHGYIFPGDTHLGAKYKVNRI
TYRNNAIMPMSSCGRLTDETHTMIGSLAAAEIRKLCQQNDLPITDAFAPF
ESQVTWVALRVDTEKLRAMKTTSEGFRKRVGDVVFNHKAGYTIHRLVLVG
DDIDVYEGKDVLWAFSTRCRPGMDETLFEDVRGFPLIPYMGHGNGPAHRG
GKVVSDALMPTEYTTGRNWEAADFNQSYPEDLKQKVLDNWTKMGFSHHHH
Ligand information
Ligand ID4LV
InChIInChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChIKeyXNCRUNXWPDJHGV-BQYQJAHWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=Cc1ccccc1)C(=O)O
CACTVS 3.385C\C(=C/c1ccccc1)C(O)=O
OpenEye OEToolkits 1.9.2C/C(=C\c1ccccc1)/C(=O)O
CACTVS 3.385CC(=Cc1ccccc1)C(O)=O
ACDLabs 12.01C/C(C(O)=O)=C\c1ccccc1
FormulaC10 H10 O2
Name(2E)-2-methyl-3-phenylprop-2-enoic acid
ChEMBLCHEMBL3928021
DrugBank
ZINCZINC000004521699
PDB chain4za7 Chain A Residue 606 [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]
PDB4za7 New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		R173 Q190 E282 M283 Y394 T395 F437 L439
Binding residue
(residue number reindexed from 1)		R170 Q187 E279 M280 Y391 T392 F434 L436
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.1.102: phenacrylate decarboxylase.
Gene Ontology
Molecular Function
GO:0016831 carboxy-lyase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009074 aromatic amino acid family catabolic process
GO:0018966 styrene metabolic process
GO:0033494 ferulate metabolic process
GO:0046281 cinnamic acid catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4za7, PDBe:4za7, PDBj:4za7
PDBsum4za7
PubMed26083754
UniProtA2QHE5|FDC1_ASPNC Ferulic acid decarboxylase 1 (Gene Name=fdc1)

[Back to BioLiP]