1CIZ

X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0008270	molecular_function	zinc ion binding
A	0031012	cellular_component	extracellular matrix

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 301

Chain	Residue
A	HIS201
A	HIS205
A	HIS211
A	DPS307

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 302

Chain	Residue
A	HIS151
A	ASP153
A	HIS166
A	HIS179

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 303

Chain	Residue
A	ASP158
A	GLY159
A	GLY161
A	VAL163
A	ASP181
A	GLU184

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 304

Chain	Residue
A	ASP141
A	GLY173
A	ASN175
A	ASP177
A	HOH403
A	HOH404

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 305

Chain	Residue
A	ASP107
A	ASP182
A	GLU184
A	HOH401

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 306

Chain	Residue
A	PRO109
A	PRO109
A	LYS110
A	LYS110
A	HOH446
A	HOH446
A	HOH516
A	HOH516

---

site_id	AC7
Number of Residues	17
Details	BINDING SITE FOR RESIDUE DPS A 307

Chain	Residue
A	LEU164
A	ALA165
A	HIS201
A	GLU202
A	HIS205
A	PHE210
A	HIS211
A	ALA217
A	LEU218
A	TYR220
A	PRO221
A	LEU222
A	TYR223
A	HIS224
A	ZN301
A	HOH471
A	HOH488

---

site_id	CA1
Number of Residues	6
Details	CA1 IS THE FIRST CALCIUM BINDING SITE.

Chain	Residue
A	ASP158
A	GLY159
A	GLY161
A	VAL163
A	ASP181
A	GLU184

---

site_id	CA2
Number of Residues	6
Details	CA2 IS THE SECOND CALCIUM BINDING SITE.

Chain	Residue
A	ASP141
A	GLY173
A	ASN175
A	ASP177
A	HOH403
A	HOH404

---

site_id	CA3
Number of Residues	4
Details	CA1 IS THE THIRD CALCIUM BINDING SITE.

Chain	Residue
A	ASP107
A	ASP182
A	GLU184
A	HOH401

---

site_id	INH
Number of Residues	4
Details

Chain	Residue
A	DPS307
A	ZN301
A	ZN302
A	CA303

---

site_id	ZN1
Number of Residues	4
Details	ZN1 IS THE CATALYTIC ZINC BINDING SITE.

Chain	Residue
A	CA304
A	CA305
A	HIS211
A	DPS307

---

site_id	ZN2
Number of Residues	4
Details	ZN1 IS THE STRUCTURAL ZINC BINDING SITE.

Chain	Residue
A	ASP153
A	HIS166
A	HIS179
A	HIS151

---

Functional Information from PROSITE/UniProt

site_id	PS00142
Number of Residues	10
Details	ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VAAHEIGHSL

Chain	Residue	Details
A	VAL198-LEU207

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8740360","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
A	MET219
A	GLU202

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1hfs

Chain	Residue	Details
A	GLU202

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 591

Chain	Residue	Details
A	HIS201	metal ligand
A	GLU202	proton acceptor, proton donor
A	HIS205	metal ligand
A	HIS211	metal ligand

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