5FL6

Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-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	Y0R268

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE Y0R A 268

Chain	Residue
A	THR200
A	THR201
A	TRP210
A	ZN1260
A	GOL1261
A	HOH2364
A	GLN92
A	HIS94
A	HIS96
A	HIS119
A	LEU199

---

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

Chain	Residue
A	ASN66
A	HIS68
A	SER69
A	GLN71
A	GLN92
A	HIS94
A	THR201
A	Y0R268
A	HOH2139

---

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

Chain	Residue
B	HIS94
B	HIS96
B	HIS119
B	Y0R269

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE Y0R B 269

Chain	Residue
B	GLN92
B	HIS94
B	HIS96
B	HIS119
B	VAL130
B	LEU199
B	THR200
B	THR201
B	TRP210
B	ZN1260
B	GOL1261

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1261

Chain	Residue
B	ASN66
B	HIS68
B	SER69
B	GLN71
B	GLN92
B	HIS94
B	Y0R269
B	HOH2004
B	HOH2273

---

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

Chain	Residue
C	HIS94
C	HIS96
C	HIS119
C	Y0R267

---

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE Y0R C 267

Chain	Residue
A	HOH2277
C	GLN92
C	HIS94
C	HIS96
C	HIS119
C	VAL121
C	VAL130
C	LEU134
C	LEU199
C	THR200
C	THR201
C	TRP210
C	ZN1260
C	HOH2118

---

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 1261

Chain	Residue
C	ASN66
C	HIS68
C	SER69
C	GLN71
C	GLN92
C	HIS94
C	THR201
C	HOH2003
C	HOH2187
C	HOH2231

---

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

Chain	Residue
D	HIS94
D	HIS96
D	HIS119
D	Y0R266

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE Y0R D 266

Chain	Residue
D	GLN92
D	HIS94
D	HIS96
D	HIS119
D	VAL121
D	VAL130
D	LEU199
D	THR200
D	THR201
D	TRP210
D	ZN1260
D	GOL1261

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1261

Chain	Residue
D	HOH2005
D	ASN66
D	HIS68
D	SER69
D	GLN71
D	GLN92
D	HIS94
D	Y0R266

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY D 1262

Chain	Residue
B	SER187
B	HOH2282
D	ARG35
D	PRO248
D	LEU249
D	ASN250
D	HOH2227

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACY B 1263

Chain	Residue
B	HOH2254
D	ARG27
D	PHE28
D	ASN250

---

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
D	HIS94
D	HIS96
D	HIS119
A	HIS96
A	HIS119
B	HIS94
B	HIS96
B	HIS119
C	HIS94
C	HIS96
C	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

---