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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5FL5

Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004089	molecular_function	carbonate dehydratase activity
A	0008270	molecular_function	zinc ion binding
B	0004089	molecular_function	carbonate dehydratase activity
B	0008270	molecular_function	zinc ion binding
C	0004089	molecular_function	carbonate dehydratase activity
C	0008270	molecular_function	zinc ion binding
D	0004089	molecular_function	carbonate dehydratase activity
D	0008270	molecular_function	zinc ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1260

Chain	Residue
A	HIS94
A	HIS96
A	HIS119
A	82E266

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 82E A 266

Chain	Residue
A	ASP131
A	LEU199
A	THR200
A	THR201
A	TRP210
A	ZN1260
A	GOL1261
A	HOH2276
D	ARG129
A	GLN92
A	HIS94
A	HIS96
A	HIS119
A	VAL130

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1261

Chain	Residue
A	ASN66
A	SER69
A	GLN71
A	GLN92
A	HIS94
A	THR201
A	82E266
A	HOH2006
A	HOH2097

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1260

Chain	Residue
B	HIS94
B	HIS96
B	HIS119
B	82E267

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 82E B 267

Chain	Residue
B	HIS94
B	HIS96
B	HIS119
B	VAL130
B	LEU134
B	LEU199
B	THR200
B	THR201
B	TRP210
B	ZN1260
B	GOL1261
B	HOH2128

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
B	ASN66
B	HIS68
B	SER69
B	GLN71
B	GLN92
B	HIS94
B	82E267
B	HOH2006
B	HOH2097
B	HOH2214

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 1260

Chain	Residue
C	HIS94
C	HIS96
C	HIS119
C	82E265

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 82E C 265

Chain	Residue
A	GLU173
A	THR174
C	HIS94
C	HIS96
C	HIS119
C	LEU134
C	LEU199
C	THR200
C	THR201
C	TRP210
C	ZN1260
C	HOH2089

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 1261

Chain	Residue
C	ASN66
C	HIS68
C	SER69
C	GLN71
C	GLN92
C	HIS94
C	HOH2003
C	HOH2062
C	HOH2151

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 1260

Chain	Residue
D	HIS94
D	HIS96
D	HIS119
D	82E269

site_id	BC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 82E D 269

Chain	Residue
D	GLN92
D	HIS94
D	HIS96
D	HIS119
D	LEU199
D	THR200
D	THR201
D	TRP210
D	ZN1260
D	GOL1261
D	HOH2177

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 1261

Chain	Residue
D	82E269
D	HOH2006
D	HOH2066
D	ASN66
D	SER69
D	GLN71
D	GLN92
D	HIS94
D	THR201

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1262

Chain	Residue
C	ARG244
C	GLN247
C	HOH2179
C	HOH2180

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1262

Chain	Residue
B	SER155
B	HOH2175
B	HOH2246
D	ARG244
D	GLN247
D	TRS1265

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1262

Chain	Residue
A	ARG244
A	GLN247
A	TRS1270
A	HOH2277
A	HOH2278
C	SER155

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 D 1262

Chain	Residue
B	SER187
D	ARG35
D	PRO248
D	LEU249
D	ASN250
D	HOH2027
D	HOH2171

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 1263

Chain	Residue
A	ARG35
A	PRO248
A	LEU249
A	ASN250
A	HOH2041
A	HOH2264
A	HOH2279
A	HOH2280
C	SER187

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1263

Chain	Residue
B	PRO18
B	ARG244
B	GLN247
B	TRS1267
B	HOH2026
B	HOH2247

site_id	CC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 1264

Chain	Residue
A	LEU51
A	GLY52
A	PHE53
A	GLN54
A	GLN215
A	HOH2072
A	HOH2214
A	HOH2245
A	HOH2281

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1263

Chain	Residue
D	GLY52
D	PHE53
D	GLN54
D	HOH2048
D	HOH2051

site_id	CC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 D 1264

Chain	Residue
C	PRO84
C	GLY85
C	ARG86
C	HOH2073
D	PHE28
D	GLU196
D	GLN206
D	GLY207
D	ARG252
D	HOH2152

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1265

Chain	Residue
A	VAL109
A	PHE114
A	ASN214
A	HOH2242

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 1263

Chain	Residue
C	PRO248
C	LEU249
C	ASN250

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1264

Chain	Residue
B	GLY26
B	ARG27
B	PHE28
B	GLN206
B	HOH2248
B	HOH2249

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1266

Chain	Residue
A	GLY12
A	LEU241
A	PHE243
A	TRS1270
A	HOH2007
A	HOH2284

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1265

Chain	Residue
B	GLY12
B	LEU241
B	PHE243
B	ALA245
B	TRS1267
B	HOH2250

site_id	CC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1267

Chain	Residue
A	ARG27
A	PHE28
A	ASN250
A	HOH2285
A	HOH2287
B	PRO84
C	PHE189

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1268

Chain	Residue
A	GLU49
A	LEU51
A	GLU79
A	ARG191
A	HOH2229

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 1264

Chain	Residue
C	GLY98
C	ALA99
C	ARG102
C	PRO115
C	LEU224
C	SER228

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1269

Chain	Residue
A	GLY98
A	ALA99
A	ARG102
A	PRO115
A	LEU224
A	SER228
A	HOH2289

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1266

Chain	Residue
B	VAL109
B	PHE114
B	ASN214

site_id	DC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS B 1267

Chain	Residue
B	GLY12
B	PRO16
B	TRP17
B	ARG244
B	ALA245
B	SO41263
B	SO41265
B	HOH2003
B	HOH2250

site_id	DC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS A 1270

Chain	Residue
A	TYR11
A	GLY12
A	TRP17
A	ARG244
A	ALA245
A	SO41262
A	SO41266
A	HOH2002
A	HOH2011
A	HOH2284

site_id	DC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS D 1265

Chain	Residue
B	SO41262
D	TYR11
D	GLY12
D	TRP17
D	ARG244
D	ALA245
D	HOH2004
D	HOH2009
D	HOH2170
D	HOH2179

Functional Information from PROSITE/UniProt

site_id	PS00162
Number of Residues	17
Details	ALPHA_CA_1 Alpha-carbonic anhydrases signature. SEHtVeghrFpaEIHVV

Chain	Residue	Details
A	SER105-VAL121

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor/acceptor => ECO:0000250\|UniProtKB:P00918

Chain	Residue	Details
A	HIS68
B	HIS68
C	HIS68
D	HIS68

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:19805286

Chain	Residue	Details
A	HIS94
A	HIS96
A	HIS119
B	HIS94
B	HIS96
B	HIS119
C	HIS94
C	HIS96
C	HIS119
D	HIS94
D	HIS96
D	HIS119

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P00918

Chain	Residue	Details
A	THR200
B	THR200
C	THR200
D	THR200

site_id	SWS_FT_FI4
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269\|PubMed:18703501, ECO:0000269\|PubMed:19805286

Chain	Residue	Details
A	ASN214
B	ASN214
C	ASN214
D	ASN214

221051

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