Structure of PDB 4o29 Chain A Binding Site BS01
Receptor Information
>4o29 Chain A (length=207) Species:
178306
(Pyrobaculum aerophilum str. IM2) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
ALMAKRLVEELERDGIVKSERVKRALLTVPREEFVLPEYRMMAYEDRPLP
LFAGATISAPHMVAMMCELIEPRPGMKILEVGTGSGYHAAVCAEAIEKKG
RIYTIEIVKELAVFAAQNLERLGYWGVVEVYHGDGKKGLEKHAPFDAIIV
TAAADVIPPALIRQLKDGGVMVIPVEERLGQVLYKVVKRGDKIEKKAITY
VMFVPLR
Ligand information
Ligand ID
SAH
InChI
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
4o29 Chain A Residue 500 [
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
4o29
Crystal structure of a protein repair methyltransferase from pyrococcus furiosus with its l-isoaspartyl peptide substrate
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
A53 T54 S56 G80 T81 S83 G84 Y85 H86 E104 I105 L109 G133 T149 L204 R205
Binding residue
(residue number reindexed from 1)
A55 T56 S58 G82 T83 S85 G86 Y87 H88 E106 I107 L111 G135 T151 L206 R207
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
S56
Catalytic site (residue number reindexed from 1)
S58
Enzyme Commision number
2.1.1.77
: protein-L-isoaspartate(D-aspartate) O-methyltransferase.
Gene Ontology
Molecular Function
GO:0004719
protein-L-isoaspartate (D-aspartate) O-methyltransferase activity
GO:0008168
methyltransferase activity
GO:0016740
transferase activity
Biological Process
GO:0030091
protein repair
GO:0032259
methylation
GO:0036211
protein modification 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:4o29
,
PDBe:4o29
,
PDBj:4o29
PDBsum
4o29
PubMed
UniProt
Q8ZYN0
|PIMT_PYRAE Protein-L-isoaspartate O-methyltransferase (Gene Name=pcm)
[
Back to BioLiP
]