Structure of PDB 3blv Chain G Binding Site BS01
Receptor Information
>3blv Chain G (length=331) Species:
4932
(Saccharomyces cerevisiae) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
YGGRFTVTLIPGDGVGKEITDSVRTIFEAENIPIDWETINIKEGVYEAVE
SLKRNKIGLKGLWHTPADQTGHGSLNVALRKQLDIYANVALFKSLKGVKT
RIPDIDLIVIRENTEGEFSGLEHESVPGVVESLKVMTRPKTERIARFAFD
FAKKYNRKSVTAVHKANIMKLGDGLFRNIITEIGQKEYPDIDVSSIIVDN
ASMQAVAKPHQFDVLVTPSMYGTILGNIGAALIGGPGLVAGANFGRDYAV
FEPGSRHVGLDIKGQNVANPTAMILSSTLMLNHLGLNEYATRISKAVHET
IAEGKHTTRDIGGSSSTTDFTNEIINKLSTM
Ligand information
Ligand ID
FLC
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04
O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
Formula
C6 H5 O7
Name
CITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain
3blv Chain G Residue 1004 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
3blv
Allosteric Motions in Structures of Yeast NAD+-specific Isocitrate Dehydrogenase.
Resolution
3.2 Å
Binding residue
(original residue number in PDB)
T83 S92 N94 R98 R129 F136 T241 R274
Binding residue
(residue number reindexed from 1)
T65 S74 N76 R80 R111 F118 T223 R256
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
F136 K183 D217 T241 N245
Catalytic site (residue number reindexed from 1)
F118 K165 D199 T223 N227
Enzyme Commision number
1.1.1.41
: isocitrate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0003723
RNA binding
GO:0004449
isocitrate dehydrogenase (NAD+) activity
GO:0005515
protein binding
GO:0016491
oxidoreductase activity
GO:0016616
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872
metal ion binding
GO:0051287
NAD binding
Biological Process
GO:0006099
tricarboxylic acid cycle
GO:0006102
isocitrate metabolic process
GO:0006537
glutamate biosynthetic process
Cellular Component
GO:0005739
mitochondrion
GO:0005758
mitochondrial intermembrane space
GO:0005759
mitochondrial matrix
GO:0005829
cytosol
GO:0042645
mitochondrial nucleoid
GO:0045242
isocitrate dehydrogenase complex (NAD+)
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:3blv
,
PDBe:3blv
,
PDBj:3blv
PDBsum
3blv
PubMed
18256028
UniProt
P28834
|IDH1_YEAST Isocitrate dehydrogenase [NAD] subunit 1, mitochondrial (Gene Name=IDH1)
[
Back to BioLiP
]