Structure of PDB 1tku Chain A Binding Site BS01

Receptor Information
>1tku Chain A (length=196) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIFTPIEEALEAYKNGEFLIVMDDEDRENEGDLIMAAELITQEKMAFLVR
YSSGYVCVPLSEERANQLELPPMLAGTAYTITCDFAEGTTTGISAHDRAL
TTRSLANPNSKPQDFIKPGHILPLRAVPGLLKKRRGHTEAAVQLSTLAGL
QPAGVICELVRDEDGLMMRLDDCIQFGKKHGIKIININQLVEYISK
Ligand information
Ligand ID5RP
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
InChIKeyFNZLKVNUWIIPSJ-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.341OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBULOSE-5-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000001532567
PDB chain1tku Chain A Residue 701 [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]
PDB1tku Potential anti-infective targets in pathogenic yeasts: structure and properties of 3,4-dihydroxy-2-butanone 4-phosphate synthase of Candida albicans.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		D34 T85 R142 G144 H145 T146 I164 E166
Binding residue
(residue number reindexed from 1)		D32 T77 R134 G136 H137 T138 I156 E158
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E30 D34 C59 Y87 D92 H128 H145 E166
Catalytic site (residue number reindexed from 1) E28 D32 C57 Y79 D84 H120 H137 E158
Enzyme Commision number 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tku, PDBe:1tku, PDBj:1tku
PDBsum1tku
PubMed15328619
UniProtQ5A3V6|RIB3_CANAL 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=RIB3)

[Back to BioLiP]