3T8D

Thermolysin In Complex With UBTLN31

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	22
Details	BINDING SITE FOR RESIDUE UBV A 317

Chain	Residue
A	TYR106
A	HIS146
A	TYR157
A	GLU166
A	LEU202
A	ARG203
A	HIS231
A	GOL320
A	DMS323
A	DMS323
A	ZN325
A	ASN111
A	HOH381
A	HOH589
A	HOH687
A	ASN112
A	ALA113
A	PHE114
A	TRP115
A	VAL139
A	HIS142
A	GLU143

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 318

Chain	Residue
A	GLY109
A	TYR110
A	ASN111
A	ASN112
A	GLN158
A	HOH355
A	HOH400
A	HOH405
A	HOH650
A	HOH717

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 319

Chain	Residue
A	GLY247
A	GLY248
A	VAL255
A	GLN273
A	LEU275
A	HOH497
A	HOH530
A	HOH549
A	HOH564
A	HOH632

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 320

Chain	Residue
A	PHE114
A	TRP115
A	HIS146
A	TYR157
A	UBV317
A	HOH462
A	HOH504
A	HOH513

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DMS A 321

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

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMS A 322

Chain	Residue
A	TYR66
A	HIS216
A	TYR251
A	HOH572

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 323

Chain	Residue
A	TYR110
A	ASN112
A	PHE114
A	UBV317
A	UBV317
A	HOH385

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DMS A 324

Chain	Residue
A	GLY95
A	PRO184
A	TRP186
A	HOH527
A	HOH546
A	HOH637

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 325

Chain	Residue
A	HIS142
A	HIS146
A	GLU166
A	UBV317

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 326

Chain	Residue
A	GLU177
A	ASN183
A	ASP185
A	GLU190
A	HOH487
A	HOH500

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 327

Chain	Residue
A	ASP138
A	GLU177
A	ASP185
A	GLU187
A	GLU190
A	HOH378

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 328

Chain	Residue
A	TYR193
A	THR194
A	ILE197
A	ASP200
A	HOH490
A	HOH534

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 329

Chain	Residue
A	ASP57
A	ASP59
A	GLN61
A	HOH468
A	HOH474
A	HOH498

---

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	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703

Chain	Residue	Details
A	GLU143

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:4808703

Chain	Residue	Details
A	HIS231

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
A	ASP57
A	ASP185
A	GLU187
A	GLU190
A	TYR193
A	THR194
A	ILE197
A	ASP200
A	ASP59
A	GLN61
A	ASP138
A	HIS142
A	HIS146
A	GLU166
A	GLU177
A	ASN183

---

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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