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1K4O

Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with one Manganese, and a glycerol

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 Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
AARG36
AHOH1180
AGLU37
ATHR92
AARG150
AGLY152
AHIS153
ATHR154
AMN1003
AGOL1004

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
AGLN81
AARG141
AARG205
AHOH1110
AHOH1124

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN A 1003
ChainResidue
AGLU37
AHIS153
ASO41001
AGOL1004
AHOH1016

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE GOL A 1004
ChainResidue
AGLU37
AASP41
ATYR94
AHIS136
AHIS153
AILE172
AGLU174
ASO41001
AMN1003
AHOH1016
AHOH1048
AHOH1102

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_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 2024-04-24

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