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6THC

Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone

Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue CTP A 501
ChainResidue
AMET275
APHE332
AALA333
ALYS350
ALYS354
ACA502
AHOH605
BLYS291
BLYS293
BLYS294
AALA277
AVAL279
AASP281
AASP308
AASP309
AVAL310
ALEU311
AGLY331

site_idAC2
Number of Residues4
Detailsbinding site for residue CA A 502
ChainResidue
AASP281
ACTP501
AHOH612
AHOH653

site_idAC3
Number of Residues15
Detailsbinding site for residue CTP B 501
ChainResidue
ALYS291
ALYS293
ALYS294
BMET275
BALA277
BVAL279
BASP281
BASP308
BASP309
BVAL310
BLEU311
BPHE332
BLYS350
BLYS354
BCA502

site_idAC4
Number of Residues2
Detailsbinding site for residue CA B 502
ChainResidue
BASP281
BCTP501

site_idAC5
Number of Residues8
Detailsbinding site for residue N9N B 503
ChainResidue
AILE209
AALA280
AASP281
APHE282
BLEU203
BARG207
BILE292
BILE302

site_idAC6
Number of Residues9
Detailsbinding site for residue N9N B 504
ChainResidue
ALEU203
AARG207
AILE292
BILE209
BALA280
BASP281
BPHE282
BLEU304
BACT506

site_idAC7
Number of Residues10
Detailsbinding site for residue N9N B 505
ChainResidue
BARG260
BSER264
BALA267
BASP308
BASP309
BVAL310
BGLY313
BALA314
BARG316
BHOH602

site_idAC8
Number of Residues5
Detailsbinding site for residue ACT B 506
ChainResidue
AARG207
BGLY210
BASN211
BALA280
BN9N504

site_idAC9
Number of Residues19
Detailsbinding site for residue CTP C 501
ChainResidue
CMET275
CALA277
CVAL279
CASP281
CASP308
CASP309
CVAL310
CLEU311
CGLY331
CPHE332
CALA333
CLYS350
CLYS354
CCA502
CHOH603
CHOH612
DLYS291
DLYS293
DLYS294

site_idAD1
Number of Residues4
Detailsbinding site for residue CA C 502
ChainResidue
CASP281
CCTP501
CHOH606
DHOH661

site_idAD2
Number of Residues12
Detailsbinding site for residue N9N C 503
ChainResidue
DLEU203
DARG207
DILE292
DPRO299
DSER301
DHOH619
DHOH637
CILE209
CALA280
CASP281
CPHE282
CACT505

site_idAD3
Number of Residues6
Detailsbinding site for residue ACT C 504
ChainResidue
CARG207
DGLY210
DASN211
DALA280
DASP281
DN9N503

site_idAD4
Number of Residues6
Detailsbinding site for residue ACT C 505
ChainResidue
CGLY210
CASN211
CALA280
CASP281
CN9N503
DARG207

site_idAD5
Number of Residues15
Detailsbinding site for residue CTP D 501
ChainResidue
CLYS293
DMET275
DALA277
DVAL279
DASP281
DASP308
DASP309
DVAL310
DLEU311
DGLY331
DPHE332
DLYS350
DLYS354
DCA502
DHOH608

site_idAD6
Number of Residues4
Detailsbinding site for residue CA D 502
ChainResidue
CHOH656
DASP281
DCTP501
DHOH630

site_idAD7
Number of Residues9
Detailsbinding site for residue N9N D 503
ChainResidue
CARG207
CILE292
CSER301
CILE302
CACT504
DILE209
DALA280
DASP281
DPHE282

site_idAD8
Number of Residues9
Detailsbinding site for residue N9N D 504
ChainResidue
DARG260
DSER264
DALA267
DASP308
DVAL310
DGLY313
DALA314
DARG316
DHOH601

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:33420031, ECO:0000269|Ref.4, ECO:0007744|PDB:4QJI, ECO:0007744|PDB:6TH2, ECO:0007744|PDB:6THC
ChainResidueDetails
AMET275
AASP308
BMET275
BASP308
CMET275
CASP308
DMET275
DASP308

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02225, ECO:0000269|PubMed:33420031, ECO:0000269|Ref.4, ECO:0007744|PDB:4QJI, ECO:0007744|PDB:6TH2
ChainResidueDetails
AASP281
BASP281
CASP281
DASP281

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02225, ECO:0000269|PubMed:33420031, ECO:0000269|Ref.4, ECO:0007744|PDB:4QJI, ECO:0007744|PDB:6THC
ChainResidueDetails
BLYS291
CLYS291
DLYS291
ALYS291

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:33420031, ECO:0007744|PDB:6TH2, ECO:0007744|PDB:6THC
ChainResidueDetails
ALYS293
BLYS293
CLYS293
DLYS293

site_idSWS_FT_FI5
Number of Residues12
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_02225, ECO:0000269|PubMed:33420031, ECO:0000269|Ref.4, ECO:0007744|PDB:4QJI, ECO:0007744|PDB:6TH2, ECO:0007744|PDB:6THC
ChainResidueDetails
APHE332
BLYS350
BLYS354
CPHE332
CLYS350
CLYS354
DPHE332
DLYS350
DLYS354
ALYS350
ALYS354
BPHE332

219869

PDB entries from 2024-05-15

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