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1SO6

Crystal structure of E112Q/H136A double mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0004590molecular_functionorotidine-5'-phosphate decarboxylase activity
A0006207biological_process'de novo' pyrimidine nucleobase biosynthetic process
A0016831molecular_functioncarboxy-lyase activity
A0019854biological_processL-ascorbic acid catabolic process
A0033982molecular_function3-dehydro-L-gulonate-6-phosphate decarboxylase activity
A0046872molecular_functionmetal ion binding
B0000287molecular_functionmagnesium ion binding
B0004590molecular_functionorotidine-5'-phosphate decarboxylase activity
B0006207biological_process'de novo' pyrimidine nucleobase biosynthetic process
B0016831molecular_functioncarboxy-lyase activity
B0019854biological_processL-ascorbic acid catabolic process
B0033982molecular_function3-dehydro-L-gulonate-6-phosphate decarboxylase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1300
ChainResidue
BGLU33
BASP62
BLYS64
BTX41301
BHOH1396
BHOH1502

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 2300
ChainResidue
AHOH2515
AHOH2516
AGLU33
AASP62
ATX42301

site_idAC3
Number of Residues19
DetailsBINDING SITE FOR RESIDUE TX4 B 1301
ChainResidue
AASP67
BALA9
BASP11
BGLU33
BASP62
BLYS64
BGLN112
BTHR169
BGLY171
BGLY191
BARG192
BMG1300
BHOH1303
BHOH1314
BHOH1316
BHOH1396
BHOH1397
BHOH1400
BHOH1502

site_idAC4
Number of Residues20
DetailsBINDING SITE FOR RESIDUE TX4 A 2301
ChainResidue
AALA9
AASP11
AGLU33
AASP62
ALYS64
AGLN112
ATHR169
AGLY171
AGLY191
AARG192
AMG2300
AHOH2303
AHOH2308
AHOH2313
AHOH2328
AHOH2394
AHOH2462
AHOH2515
AHOH2516
BASP67

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING:
ChainResidueDetails
BASP11
BGLU33
BASP62
BARG192
AASP11
AGLU33
AASP62
AARG192

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Transition state stabilizer
ChainResidueDetails
ALYS64
AASP67
BLYS64
BASP67

Catalytic Information from CSA
site_idMCSA1
Number of Residues9
DetailsM-CSA 236
ChainResidueDetails
ATHR36ground state destabiliser
AILE37ground state destabiliser
ALYS64attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor
AASP67electrostatic stabiliser, hydrogen bond acceptor
AALA68ground state destabiliser
ALEU72ground state destabiliser
AGLN112electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity
AALA136hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AARG139hydrogen bond donor, proton acceptor, proton donor

site_idMCSA2
Number of Residues9
DetailsM-CSA 236
ChainResidueDetails
BTHR36ground state destabiliser
BILE37ground state destabiliser
BLYS64attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor
BASP67electrostatic stabiliser, hydrogen bond acceptor
BALA68ground state destabiliser
BLEU72ground state destabiliser
BGLN112electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity
BALA136hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BARG139hydrogen bond donor, proton acceptor, proton donor

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PDB entries from 2024-06-12

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