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1BPJ

THYMIDYLATE SYNTHASE R178T, R179T DOUBLE MUTANT

Functional Information from GO Data
ChainGOidnamespacecontents
A0004799molecular_functionthymidylate synthase activity
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006231biological_processdTMP biosynthetic process
A0006235biological_processdTTP biosynthetic process
A0008168molecular_functionmethyltransferase activity
A0009165biological_processnucleotide biosynthetic process
A0016740molecular_functiontransferase activity
A0016741molecular_functiontransferase activity, transferring one-carbon groups
A0032259biological_processmethylation
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K A 317
ChainResidue
ASER183
ASER183
ATRP185
ATRP185

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE UMP A 318
ChainResidue
AARG218
ASER219
AALA220
AASP221
AASN229
AHIS259
ATYR261
AHOH337
AHOH362
AHOH367
AHOH368
AHOH370
AARG23
ATHR178
ALEU195
AGLN217

site_idCAT
Number of Residues1
DetailsCATALYTIC CYSTEINE
ChainResidue
ACYS198

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008
ChainResidueDetails
ACYS198

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_00008
ChainResidueDetails
AARG23
AARG218
AASN229
AHIS259

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00008
ChainResidueDetails
ATHR178
AASP221
AALA315

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 31
ChainResidueDetails
AGLU60hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ATRP82electrostatic stabiliser, hydrogen bond donor, van der waals interaction
ATYR146hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ACYS198covalently attached, nucleofuge, nucleophile, proton acceptor, proton donor
AARG218electrostatic stabiliser, hydrogen bond donor, increase acidity
AASP221activator, electrostatic stabiliser, hydrogen bond acceptor, steric role

218853

PDB entries from 2024-04-24

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