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3WQM

Crystal structure of Rv3378c with inhibitor BPH-629

Functional Information from GO Data
ChainGOidnamespacecontents
A0016102biological_processditerpenoid biosynthetic process
A0016740molecular_functiontransferase activity
A0016765molecular_functiontransferase activity, transferring alkyl or aryl (other than methyl) groups
A0016791molecular_functionphosphatase activity
A0035440biological_processtuberculosinol biosynthetic process
A0052572biological_processresponse to host immune response
A0062204molecular_function(13S)-vitexifolin A synthase activity
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE B29 A 401
ChainResidue
AASP34
AB29402
AMG403
AGLY35
ATHR36
AARG37
AARG38
AHIS41
AASP49
ATYR259
ASER260

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE B29 A 402
ChainResidue
AASP34
AGLY35
ATHR36
ATYR51
AGLN52
ASER59
APHE79
ATYR90
AGLN93
AGLY97
ATYR233
AB29401
AMG403
AHOH611

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE MG A 403
ChainResidue
AASP34
AB29401
AB29402

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PO4 A 404
ChainResidue
AARG209
ASER211
AGLY221
ALYS222
ATHR223
ASER224
AARG251
AHIS252
AHOH535
AHOH761

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 405
ChainResidue
ALYS7
AGLU8
AASP11
ALYS125
AVAL138
AASP142

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 954
ChainResidueDetails
AASP34metal ligand
AARG38proton acceptor, proton donor
ATYR51proton acceptor, proton donor
ATYR90activator, proton acceptor, proton donor

site_idMCSA2
Number of Residues2
DetailsM-CSA 955
ChainResidueDetails
AASP34metal ligand
ATYR51proton acceptor, proton donor

219869

PDB entries from 2024-05-15

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