6YI6

Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN E 401

Chain	Residue
E	HIS142
E	HIS146
E	GLU166
E	ORK412

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CA E 402

Chain	Residue
E	HOH768
E	ASP57
E	ASP59
E	GLN61
E	HOH568
E	HOH602

---

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

Chain	Residue
E	ASP138
E	GLU177
E	ASP185
E	GLU187
E	GLU190
E	HOH567

---

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

Chain	Residue
E	GLU177
E	ASN183
E	ASP185
E	GLU190
E	HOH532
E	HOH571

---

site_id	AC5
Number of Residues	6
Details	binding site for residue CA E 405

Chain	Residue
E	TYR193
E	THR194
E	ILE197
E	ASP200
E	HOH591
E	HOH753

---

site_id	AC6
Number of Residues	4
Details	binding site for residue CS E 406

Chain	Residue
E	TYR193
E	SER201
E	LEU202
E	TYR211

---

site_id	AC7
Number of Residues	4
Details	binding site for residue CS E 407

Chain	Residue
E	ASN159
E	THR222
E	GLY223
E	HOH659

---

site_id	AC8
Number of Residues	5
Details	binding site for residue DMS E 408

Chain	Residue
E	ILE1
E	THR2
E	GLY3
E	GLN31
E	ASN33

---

site_id	AC9
Number of Residues	5
Details	binding site for residue DMS E 409

Chain	Residue
E	GLY95
E	PRO184
E	TRP186
E	HOH658
E	HOH694

---

site_id	AD1
Number of Residues	4
Details	binding site for residue DMS E 410

Chain	Residue
E	GLY259
E	ARG260
E	ASP261
E	HOH523

---

site_id	AD2
Number of Residues	3
Details	binding site for residue DMS E 411

Chain	Residue
E	TYR106
E	ORK412
E	HOH774

---

site_id	AD3
Number of Residues	26
Details	binding site for residue ORK E 412

Chain	Residue
E	TYR106
E	TYR110
E	ASN112
E	ALA113
E	PHE114
E	TRP115
E	HIS142
E	GLU143
E	HIS146
E	ASP150
E	TYR157
E	ASN165
E	GLU166
E	LEU202
E	ARG203
E	HIS231
E	ZN401
E	DMS411
E	HOH507
E	HOH521
E	HOH536
E	HOH607
E	HOH667
E	HOH774
E	HOH782
E	HOH798

---

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
E	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

Chain	Residue	Details
E	GLU143

---

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

Chain	Residue	Details
E	HIS231

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
E	ASP57
E	THR194
E	ILE197
E	ASP200
E	ASP59
E	GLN61
E	ASP138
E	GLU177
E	ASN183
E	ASP185
E	GLU187
E	GLU190

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095

Chain	Residue	Details
E	HIS142
E	HIS146
E	GLU166

---