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5OGJ

Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004089molecular_functioncarbonate dehydratase activity
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic process
A0008270molecular_functionzinc ion binding
A0016829molecular_functionlyase activity
A0043209cellular_componentmyelin sheath
A0043231cellular_componentintracellular membrane-bounded organelle
A0046872molecular_functionmetal ion binding
B0004089molecular_functioncarbonate dehydratase activity
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0006730biological_processone-carbon metabolic process
B0008270molecular_functionzinc ion binding
B0016829molecular_functionlyase activity
B0043209cellular_componentmyelin sheath
B0043231cellular_componentintracellular membrane-bounded organelle
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue ZN B 301
ChainResidue
BHIS96
BHIS98
BHIS121
BTHR201
BACT305
BHOH424

site_idAC2
Number of Residues8
Detailsbinding site for residue CIT B 302
ChainResidue
BGLU154
BSER245
BHIS247
BHOH466
BHOH506
BGLY100
BSER101
BHIS105

site_idAC3
Number of Residues8
Detailsbinding site for residue CIT B 303
ChainResidue
BMET1
BARG10
BGLU11
BHIS12
BASN13
BHOH433
BHOH627
BHOH634

site_idAC4
Number of Residues7
Detailsbinding site for residue PEG B 304
ChainResidue
ALYS59
AILE60
AARG177
BASP28
BGLN29
BLYS254
BARG256

site_idAC5
Number of Residues8
Detailsbinding site for residue ACT B 305
ChainResidue
BHIS96
BHIS121
BVAL145
BLEU200
BTHR201
BZN301
BV90308
BHOH424

site_idAC6
Number of Residues6
Detailsbinding site for residue EDO B 306
ChainResidue
AILE60
AGLN175
BPRO197
BARG256
BLYS257
BHOH454

site_idAC7
Number of Residues7
Detailsbinding site for residue EDO B 307
ChainResidue
BTYR116
BPRO217
BHOH406
BHOH409
BHOH447
BHOH467
BHOH520

site_idAC8
Number of Residues9
Detailsbinding site for residue V90 B 308
ChainResidue
BARG93
BGLN94
BHIS96
BVAL123
BPHE133
BHIS138
BVAL202
BACT305
BHOH566

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN A 301
ChainResidue
AHIS96
AHIS98
AHIS121
ATHR201
AACT307
AHOH417

site_idAD1
Number of Residues4
Detailsbinding site for residue CIT A 302
ChainResidue
AARG10
AGLU11
AHIS12
AASN13

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 303
ChainResidue
ALYS38
AGLN223
ALYS227
AHOH404
AHOH444
AHOH497

site_idAD3
Number of Residues7
Detailsbinding site for residue EDO A 304
ChainResidue
AARG47
APRO85
AHOH410
AHOH424
AHOH504
AHOH556
AHOH630

site_idAD4
Number of Residues9
Detailsbinding site for residue CIT A 305
ChainResidue
AGLY100
ASER101
AHIS105
ASER245
AHIS247
AHOH435
AHOH498
AHOH551
AHOH622

site_idAD5
Number of Residues6
Detailsbinding site for residue EDO A 306
ChainResidue
ALYS215
AGLN216
APRO217
AHOH452
AHOH480
AHOH595

site_idAD6
Number of Residues8
Detailsbinding site for residue ACT A 307
ChainResidue
AVAL145
ALEU200
ATHR201
AZN301
AV90308
AHOH417
AHIS96
AHIS121

site_idAD7
Number of Residues14
Detailsbinding site for residue V90 A 308
ChainResidue
AARG93
AGLN94
AHIS96
AVAL123
APHE133
AHIS138
AVAL202
ALEU206
AACT307
AHOH506
AHOH594
AHOH604
AHOH616
BLYS257

Functional Information from PROSITE/UniProt
site_idPS00162
Number of Residues17
DetailsALPHA_CA_1 Alpha-carbonic anhydrases signature. SEHiVdgvsYaaELHVV
ChainResidueDetails
BSER107-VAL123

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor/acceptor => ECO:0000250|UniProtKB:P00918
ChainResidueDetails
BHIS66
AHIS66

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:18618712
ChainResidueDetails
BHIS96
BHIS98
BHIS121
AHIS96
AHIS98
AHIS121

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P00918
ChainResidueDetails
BTHR201
ATHR201

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PDB entries from 2024-06-12

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