3T8G

Thermolysin In Complex With UBTLN26

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE UBT A 401

Chain	Residue
A	TYR106
A	GLU166
A	ARG203
A	HIS231
A	GOL404
A	DMS406
A	DMS406
A	ZN411
A	HOH852
A	HOH858
A	HOH875
A	ASN112
A	ALA113
A	PHE114
A	TRP115
A	HIS142
A	GLU143
A	HIS146
A	TYR157

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 402

Chain	Residue
A	GLY247
A	GLY248
A	VAL255
A	GLN273
A	LEU275
A	HOH670
A	HOH680
A	HOH705
A	HOH753
A	HOH864

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 403

Chain	Residue
A	SER65
A	TYR66
A	PRO69
A	HIS105
A	ASP124
A	HOH577
A	HOH850
A	HOH871

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 404

Chain	Residue
A	PHE114
A	TRP115
A	HIS146
A	TYR157
A	UBT401
A	HOH621
A	HOH657
A	HOH676

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 405

Chain	Residue
A	GLY109
A	TYR110
A	ASN111
A	ASN112
A	GLN158
A	DMS406
A	HOH671
A	HOH800
A	HOH867

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DMS A 406

Chain	Residue
A	TYR110
A	ASN112
A	PHE114
A	UBT401
A	UBT401
A	GOL405
A	HOH730

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 407

Chain	Residue
A	ILE1
A	THR2
A	GLY3
A	GLN31
A	ASN33

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS A 408

Chain	Residue
A	TYR24
A	SER25

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 409

Chain	Residue
A	TYR66
A	HIS216
A	TYR251
A	HOH767

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 410

Chain	Residue
A	GLY95
A	PRO184
A	TRP186
A	HOH686
A	HOH848

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 411

Chain	Residue
A	HIS142
A	HIS146
A	GLU166
A	UBT401

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 412

Chain	Residue
A	ASP138
A	GLU177
A	ASP185
A	GLU187
A	GLU190
A	HOH907

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 413

Chain	Residue
A	GLU177
A	ASN183
A	ASP185
A	GLU190
A	HOH912
A	HOH913

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 414

Chain	Residue
A	TYR193
A	THR194
A	ILE197
A	ASP200
A	HOH910
A	HOH914

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 415

Chain	Residue
A	ASP57
A	ASP59
A	GLN61
A	HOH908
A	HOH909
A	HOH911

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL139-VAL148

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"4808703","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"4808703","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	Binding site: {}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 176

Chain	Residue	Details
A	HIS142	metal ligand
A	GLU143	electrostatic stabiliser, metal ligand
A	HIS146	metal ligand
A	TYR157	electrostatic stabiliser, hydrogen bond donor, steric role
A	GLU166	metal ligand
A	ASP226	activator, electrostatic stabiliser, hydrogen bond acceptor
A	HIS231	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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