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1K4I

Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with two Magnesium ions

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0005575cellular_componentcellular_component
A0005829cellular_componentcytosol
A0008686molecular_function3,4-dihydroxy-2-butanone-4-phosphate synthase activity
A0009231biological_processriboflavin biosynthetic process
A0016829molecular_functionlyase activity
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
AARG36
AHOH1091
AHOH1100
AHOH1139
AGLU37
ATHR92
AARG150
AGLY152
AHIS153
ATHR154
AMG1003
AHOH1075

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
AGLN81
AARG141
AARG205
AHOH1105
AHOH1131

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 1003
ChainResidue
AGLU37
AHIS153
ASO41001
AMG1004
AHOH1051
AHOH1100
AHOH1139

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 1004
ChainResidue
AGLU37
AMG1003
AHOH1047
AHOH1084
AHOH1087
AHOH1091
AHOH1100

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:11827524, ECO:0007744|PDB:1K4L
ChainResidueDetails
AGLU37
AHIS153

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q5A3V6
ChainResidueDetails
AASP41
ATHR92
AARG150

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Essential for catalytic activity => ECO:0000250
ChainResidueDetails
AHIS136
AGLU174

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: S-glutathionyl cysteine => ECO:0000250|UniProtKB:Q99258
ChainResidueDetails
ACYS66

Catalytic Information from CSA
site_idCSA1
Number of Residues6
DetailsAnnotated By Reference To The Literature 1k4l
ChainResidueDetails
AHIS136
AGLU174
AASP99
ATYR94
ACYS66
AASP41

site_idMCSA1
Number of Residues8
DetailsM-CSA 683
ChainResidueDetails
AGLU37metal ligand
AASP41proton acceptor
ACYS66proton donor
ATYR94electrostatic stabiliser
AASP99electrostatic stabiliser
AHIS136electrostatic stabiliser, proton acceptor, proton donor
AHIS153metal ligand
AGLU174proton acceptor, proton donor

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PDB entries from 2024-06-26

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