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7AQU

Flavin-dependent tryptophan halogenase Thal: N-terminally His-tagged form of quintuple mutant (NHis-Thal-RebH5)

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003824molecular_functioncatalytic activity
A0004497molecular_functionmonooxygenase activity
A0016491molecular_functionoxidoreductase activity
B0000166molecular_functionnucleotide binding
B0003824molecular_functioncatalytic activity
B0004497molecular_functionmonooxygenase activity
B0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue BCN A 601
ChainResidue
AASN30
AVAL32
ALYS33
AILE34
AGLN189
AALA190

site_idAC2
Number of Residues7
Detailsbinding site for residue GOL A 602
ChainResidue
AGLU500
APHE503
AHOH733
AHOH798
ALYS130
ATHR136
AGLU138

site_idAC3
Number of Residues7
Detailsbinding site for residue GOL A 603
ChainResidue
AASP119
ALYS492
AHOH727
AHOH1035
BTYR23
BTYR62
BHIS370

site_idAC4
Number of Residues8
Detailsbinding site for residue GOL A 604
ChainResidue
ATHR15
AGLU49
ALEU349
AGLY361
AILE362
AILE365
AHOH775
AHOH850

site_idAC5
Number of Residues7
Detailsbinding site for residue GLY A 605
ChainResidue
APHE159
ALEU160
AASP161
AASP301
AHIS302
AHOH740
AHOH1084

site_idAC6
Number of Residues8
Detailsbinding site for residue GLY A 606
ChainResidue
AHIS302
APHE303
APRO417
ASER516
AHOH740
AHOH743
AHOH830
AHOH1001

site_idAC7
Number of Residues8
Detailsbinding site for residue GLY A 607
ChainResidue
APRO53
ATYR454
ATYR455
AGLU461
APHE465
AASN470
AHOH888
AHOH945

site_idAC8
Number of Residues3
Detailsbinding site for residue ALA A 608
ChainResidue
ATYR409
AHOH973
AHOH1076

site_idAC9
Number of Residues6
Detailsbinding site for residue SER A 609
ChainResidue
AASN3
AASP378
AHOH841
AHOH895
BASN484
BHOH857

site_idAD1
Number of Residues11
Detailsbinding site for residue GOL B 601
ChainResidue
ATYR23
AALA27
ATYR62
AHIS370
AALA373
BASP119
BGLN120
BILE121
BLYS492
BHOH708
BHOH871

site_idAD2
Number of Residues6
Detailsbinding site for residue GOL B 602
ChainResidue
BLYS130
BTHR136
BGLU138
BALA143
BGLU500
BPHE503

site_idAD3
Number of Residues6
Detailsbinding site for residue GLY B 603
ChainResidue
BASN30
BVAL32
BILE34
BGLN189
BALA190
BHOH820

site_idAD4
Number of Residues8
Detailsbinding site for residue GLY B 604
ChainResidue
AASP322
BGLY14
BTRP18
BGLU38
BSER175
BALA178
BALA179
BARG182

site_idAD5
Number of Residues7
Detailsbinding site for residue GLY B 605
ChainResidue
BLEU11
BLEU37
BALA39
BASP196
BGLU197
BMET198
BHOH893

site_idAD6
Number of Residues7
Detailsbinding site for residue GLY B 606
ChainResidue
BGLU49
BLEU349
BGLY361
BILE362
BHOH778
BHOH811
BTHR15

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000305|PubMed:30559288, ECO:0000305|PubMed:33465708
ChainResidueDetails
ALYS79
BLYS79

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0000269|PubMed:33465708, ECO:0007744|PDB:6SLS, ECO:0007744|PDB:6SLT, ECO:0007744|PDB:7CU1
ChainResidueDetails
AGLY13
BALA16
BILE42
BILE45
BALA50
BMET198
BLEU349
BILE362
AALA16
AILE42
AILE45
AALA50
AMET198
ALEU349
AILE362
BGLY13

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:33465708, ECO:0007744|PDB:7CU1
ChainResidueDetails
ATHR15
BTHR15

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0007744|PDB:6SLS
ChainResidueDetails
AALA39
BALA39

site_idSWS_FT_FI5
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:31589794, ECO:0007744|PDB:6SLS, ECO:0007744|PDB:6SLT
ChainResidueDetails
AVAL47
BVAL47

site_idSWS_FT_FI6
Number of Residues10
DetailsBINDING: BINDING => ECO:0000269|PubMed:30559288, ECO:0000269|PubMed:31589794, ECO:0000269|PubMed:33465708, ECO:0007744|PDB:6H44, ECO:0007744|PDB:6SLT, ECO:0007744|PDB:7CU0
ChainResidueDetails
APRO111
BPHE465
ATYR454
ATYR455
AGLU461
APHE465
BPRO111
BTYR454
BTYR455
BGLU461

site_idSWS_FT_FI7
Number of Residues4
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:E9P162
ChainResidueDetails
ATHR360
AGLY361
BTHR360
BGLY361

site_idSWS_FT_FI8
Number of Residues2
DetailsSITE: Important for activity => ECO:0000250|UniProtKB:P95480
ChainResidueDetails
AGLU358
BGLU358

225946

PDB entries from 2024-10-09

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