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6YKC

Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic

Functional Information from GO Data
ChainGOidnamespacecontents
A0002009biological_processmorphogenesis of an epithelium
A0004064molecular_functionarylesterase activity
A0004089molecular_functioncarbonate dehydratase activity
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0006730biological_processone-carbon metabolic process
A0008270molecular_functionzinc ion binding
A0015670biological_processcarbon dioxide transport
A0016829molecular_functionlyase activity
A0018820molecular_functioncyanamide hydratase activity
A0032230biological_processpositive regulation of synaptic transmission, GABAergic
A0032849biological_processpositive regulation of cellular pH reduction
A0038166biological_processangiotensin-activated signaling pathway
A0043209cellular_componentmyelin sheath
A0044070biological_processregulation of monoatomic anion transport
A0045177cellular_componentapical part of cell
A0046872molecular_functionmetal ion binding
A0046903biological_processsecretion
A0051453biological_processregulation of intracellular pH
A0070050biological_processneuron cellular homeostasis
A0070062cellular_componentextracellular exosome
A2001150biological_processpositive regulation of dipeptide transmembrane transport
A2001225biological_processregulation of chloride transport
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue ZN A 301
ChainResidue
AHIS94
AHIS96
AHIS119
AOY8302
AOY5303

site_idAC2
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609
ATRP5
AASN62
AHIS64
ASER65

site_idAC3
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAC4
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAC5
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAC6
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200

site_idAC7
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAC8
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAC9
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD1
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD2
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD3
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD4
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD5
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD6
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD7
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD8
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAD9
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE1
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE2
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE3
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE4
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE5
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE6
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE7
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE8
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAE9
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF1
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF2
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF3
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF4
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF5
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF6
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF7
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF8
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAF9
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG1
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG2
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG3
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG4
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG5
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG6
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG7
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG8
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

site_idAG9
Number of Residues20
Detailsbinding site for residues OY8 A 302 and OY5 A 303
ChainResidue
ATRP5
AASN62
AHIS64
ASER65
AGLN67
AGLN92
AHIS94
AHIS96
AHIS119
AVAL121
ALEU197
ATHR198
ATHR199
APRO200
APRO201
ATRP208
AZN301
AHOH405
AHOH409
AHOH609

Functional Information from PROSITE/UniProt
site_idPS00162
Number of Residues17
DetailsALPHA_CA_1 Alpha-carbonic anhydrases signature. SEHtVdkkkYaaELHLV
ChainResidueDetails
ASER105-VAL121

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:15667203, ECO:0000305|PubMed:17330962
ChainResidueDetails
AHIS64

site_idSWS_FT_FI2
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:11076507, ECO:0000269|PubMed:12499545, ECO:0000269|PubMed:1336460, ECO:0000269|PubMed:1433293, ECO:0000269|PubMed:1909891, ECO:0000269|PubMed:19583303, ECO:0000269|PubMed:3151019, ECO:0000269|PubMed:3151020, ECO:0000269|PubMed:4621826, ECO:0000269|PubMed:7761440, ECO:0000269|PubMed:7803386, ECO:0000269|PubMed:7901850, ECO:0000269|PubMed:8218160, ECO:0000269|PubMed:8262987, ECO:0000269|PubMed:8331673, ECO:0000269|PubMed:8399159, ECO:0000269|PubMed:8431430, ECO:0000269|PubMed:8451242, ECO:0000269|PubMed:8482389, ECO:0000269|PubMed:8639494, ECO:0000269|PubMed:8987974, ECO:0000269|PubMed:9398308, ECO:0000269|PubMed:9865942
ChainResidueDetails
AHIS94

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:11076507, ECO:0000269|PubMed:12499545, ECO:0000269|PubMed:1336460, ECO:0000269|PubMed:1433293, ECO:0000269|PubMed:1909891, ECO:0000269|PubMed:19583303, ECO:0000269|PubMed:3151019, ECO:0000269|PubMed:3151020, ECO:0000269|PubMed:7761440, ECO:0000269|PubMed:7803386, ECO:0000269|PubMed:7901850, ECO:0000269|PubMed:8218160, ECO:0000269|PubMed:8262987, ECO:0000269|PubMed:8331673, ECO:0000269|PubMed:8399159, ECO:0000269|PubMed:8431430, ECO:0000269|PubMed:8451242, ECO:0000269|PubMed:8482389, ECO:0000269|PubMed:8639494, ECO:0000269|PubMed:8987974, ECO:0000269|PubMed:9398308, ECO:0000269|PubMed:9865942
ChainResidueDetails
AHIS96
AHIS119

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10550681, ECO:0000269|PubMed:19520834
ChainResidueDetails
ATHR198

site_idSWS_FT_FI5
Number of Residues1
DetailsSITE: Fine-tunes the proton-transfer properties of H-64 => ECO:0000305|PubMed:17330962
ChainResidueDetails
ATYR7

site_idSWS_FT_FI6
Number of Residues2
DetailsSITE: Fine-tunes the proton-transfer properties of H-64; involved in the binding of some activators, including histamine and L-histidine => ECO:0000269|PubMed:16214338, ECO:0000269|PubMed:9265618, ECO:0000305|PubMed:17330962
ChainResidueDetails
AASN62
AGLN67

site_idSWS_FT_FI7
Number of Residues1
DetailsSITE: Involved in the binding of some activators, including histamine and L-histidine => ECO:0000269|PubMed:16214338, ECO:0000269|PubMed:9265618, ECO:0000305|PubMed:17330962
ChainResidueDetails
AGLN92

site_idSWS_FT_FI8
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P27139
ChainResidueDetails
ASER2

site_idSWS_FT_FI9
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER165
ASER172

Catalytic Information from CSA
site_idMCSA1
Number of Residues6
DetailsM-CSA 216
ChainResidueDetails
AHIS64hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
AHIS94metal ligand
AHIS96metal ligand
AGLU106activator, electrostatic stabiliser, hydrogen bond acceptor
AHIS119metal ligand
ATHR198activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity

222926

PDB entries from 2024-07-24

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