5UUD

Tetragonal thermolysin cryocooled to 100 K with 50% dmf 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	HOH626

---

site_id	AC2
Number of Residues	8
Details	binding site for residue ZN A 402

Chain	Residue
A	ASN183
A	ASP185
A	GLU190
A	CA401
A	HOH523
A	HOH527
A	GLU177
A	LYS182

---

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

Chain	Residue
A	ASP57
A	ASP59
A	GLN61
A	HOH541
A	HOH622
A	HOH790

---

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	HOH615
A	HOH785

---

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	HOH746

---

site_id	AC6
Number of Residues	8
Details	binding site for residue ZN A 406

Chain	Residue
A	GLU166
A	HIS231
A	ZN405
A	ZN407
A	HOH520
A	HOH746
A	HOH799
A	HOH815

---

site_id	AC7
Number of Residues	8
Details	binding site for residue ZN A 407

Chain	Residue
A	GLU143
A	ZN405
A	ZN406
A	DMF418
A	HOH573
A	HOH654
A	HOH746
A	HOH799

---

site_id	AC8
Number of Residues	5
Details	binding site for residue ZN A 408

Chain	Residue
A	LYS239
A	ZN409
A	CL410
A	CL411
A	HOH774

---

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

Chain	Residue
A	HIS250
A	ZN408
A	CL412
A	CL413
A	HOH774

---

site_id	AD1
Number of Residues	2
Details	binding site for residue CL A 410

Chain	Residue
A	GLY247
A	ZN408

---

site_id	AD2
Number of Residues	4
Details	binding site for residue CL A 411

Chain	Residue
A	SER206
A	LYS239
A	ZN408
A	CL412

---

site_id	AD3
Number of Residues	4
Details	binding site for residue CL A 412

Chain	Residue
A	ASP215
A	HIS250
A	ZN409
A	CL411

---

site_id	AD4
Number of Residues	5
Details	binding site for residue CL A 413

Chain	Residue
A	LYS45
A	ARG47
A	HIS250
A	TYR251
A	ZN409

---

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

Chain	Residue
A	TYR274
A	ALA286
A	ALA287
A	HOH525
A	HOH605

---

site_id	AD6
Number of Residues	7
Details	binding site for residue DMF A 415

Chain	Residue
A	ASP150
A	TYR151
A	TRP186
A	SER206
A	TYR242
A	HOH576
A	HOH659

---

site_id	AD7
Number of Residues	6
Details	binding site for residue DMF A 416

Chain	Residue
A	TYR66
A	HIS216
A	SER218
A	TYR251
A	HOH591
A	HOH690

---

site_id	AD8
Number of Residues	6
Details	binding site for residue DMF A 417

Chain	Residue
A	TYR27
A	TYR29
A	ALA56
A	GLY212
A	PRO214
A	HOH603

---

site_id	AD9
Number of Residues	7
Details	binding site for residue DMF A 418

Chain	Residue
A	ALA113
A	HIS142
A	GLU143
A	LEU202
A	ARG203
A	ZN407
A	HOH520

---

site_id	AE1
Number of Residues	5
Details	binding site for residue DMF A 419

Chain	Residue
A	ASN21
A	ARG35
A	TYR75
A	HOH691
A	HOH719

---

site_id	AE2
Number of Residues	3
Details	binding site for residue DMF A 420

Chain	Residue
A	THR299
A	GLN301
A	HOH517

---

site_id	AE3
Number of Residues	6
Details	binding site for residue DMF A 421

Chain	Residue
A	ASP16
A	GLN17
A	LYS18
A	TYR75
A	TYR76
A	LYS182

---

site_id	AE4
Number of Residues	2
Details	binding site for residue DMF A 422

Chain	Residue
A	PHE114
A	HOH867

---

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

Chain	Residue
A	ILE1
A	TYR29
A	LEU54
A	LYS210
A	GLY212

---

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

---