5UUC

Tetragonal thermolysin cryocooled to 100 K with 50% mpd as cryoprotectant

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	7
Details	binding site for residue CA A 401

Chain	Residue
A	ASP138
A	GLU177
A	ASP185
A	GLU187
A	GLU190
A	ZN402
A	HOH585

---

site_id	AC2
Number of Residues	7
Details	binding site for residue ZN A 402

Chain	Residue
A	ASP185
A	GLU190
A	CA401
A	HOH521
A	HOH550
A	GLU177
A	ASN183

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CA A 403

Chain	Residue
A	ASP57
A	ASP59
A	GLN61
A	HOH576
A	HOH656
A	HOH799

---

site_id	AC4
Number of Residues	6
Details	binding site for residue CA A 404

Chain	Residue
A	TYR193
A	THR194
A	ILE197
A	ASP200
A	HOH584
A	HOH778

---

site_id	AC5
Number of Residues	7
Details	binding site for residue ZN A 405

Chain	Residue
A	HIS142
A	GLU143
A	HIS146
A	GLU166
A	ZN406
A	ZN407
A	HOH715

---

site_id	AC6
Number of Residues	10
Details	binding site for residue ZN A 406

Chain	Residue
A	TYR157
A	GLU166
A	HIS231
A	ZN405
A	ZN407
A	MRD420
A	HOH502
A	HOH580
A	HOH699
A	HOH715

---

site_id	AC7
Number of Residues	9
Details	binding site for residue ZN A 407

Chain	Residue
A	GLU143
A	ZN405
A	ZN406
A	MRD420
A	HOH549
A	HOH580
A	HOH599
A	HOH699
A	HOH715

---

site_id	AC8
Number of Residues	2
Details	binding site for residue ZN A 408

Chain	Residue
A	ASP226
A	HIS231

---

site_id	AC9
Number of Residues	5
Details	binding site for residue ZN A 409

Chain	Residue
A	LYS239
A	ZN410
A	CL413
A	CL414
A	HOH714

---

site_id	AD1
Number of Residues	5
Details	binding site for residue ZN A 410

Chain	Residue
A	HIS250
A	ZN409
A	CL415
A	CL416
A	HOH714

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN A 411

Chain	Residue
A	ZN412
A	HOH530
A	HOH615
A	HOH785
A	HOH808
A	HOH841

---

site_id	AD3
Number of Residues	6
Details	binding site for residue ZN A 412

Chain	Residue
A	ASP213
A	ZN411
A	HOH530
A	HOH615
A	HOH642
A	HOH785

---

site_id	AD4
Number of Residues	3
Details	binding site for residue CL A 413

Chain	Residue
A	LYS239
A	ZN409
A	CL414

---

site_id	AD5
Number of Residues	5
Details	binding site for residue CL A 414

Chain	Residue
A	LYS239
A	ZN409
A	CL413
A	HOH650
A	HOH807

---

site_id	AD6
Number of Residues	4
Details	binding site for residue CL A 415

Chain	Residue
A	ARG47
A	ASP215
A	HIS250
A	ZN410

---

site_id	AD7
Number of Residues	5
Details	binding site for residue CL A 416

Chain	Residue
A	LYS45
A	ARG47
A	HIS250
A	TYR251
A	ZN410

---

site_id	AD8
Number of Residues	3
Details	binding site for residue CL A 417

Chain	Residue
A	ARG285
A	HOH821
A	HOH860

---

site_id	AD9
Number of Residues	5
Details	binding site for residue MPD A 418

Chain	Residue
A	GLN290
A	HOH834
A	TYR274
A	GLN283
A	ALA286

---

site_id	AE1
Number of Residues	4
Details	binding site for residue MPD A 419

Chain	Residue
A	ASN33
A	GLY36
A	ASN37
A	PHE40

---

site_id	AE2
Number of Residues	10
Details	binding site for residue MRD A 420

Chain	Residue
A	ASN112
A	ALA113
A	LEU133
A	HIS142
A	GLU143
A	LEU202
A	ZN406
A	ZN407
A	HOH502
A	HOH580

---

site_id	AE3
Number of Residues	7
Details	binding site for residue MPD A 421

Chain	Residue
A	SER25
A	TYR29
A	TYR211
A	GLY212
A	ASP213
A	HOH615
A	HOH785

---

site_id	AE4
Number of Residues	5
Details	binding site for residue MPD A 422

Chain	Residue
A	GLU187
A	GLY199
A	HOH510
A	HOH623
A	HOH708

---

site_id	AE5
Number of Residues	5
Details	binding site for residue MRD A 423

Chain	Residue
A	LEU14
A	ASN96
A	ASP191
A	HOH526
A	HOH679

---

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

---