5TH9

Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0008270	molecular_function	zinc ion binding
A	0031012	cellular_component	extracellular matrix
B	0004222	molecular_function	metalloendopeptidase activity
B	0006508	biological_process	proteolysis
B	0008237	molecular_function	metallopeptidase activity
B	0008270	molecular_function	zinc ion binding
B	0031012	cellular_component	extracellular matrix
C	0004222	molecular_function	metalloendopeptidase activity
C	0006508	biological_process	proteolysis
C	0008237	molecular_function	metallopeptidase activity
C	0008270	molecular_function	zinc ion binding
C	0031012	cellular_component	extracellular matrix

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue ZN A 501

Chain	Residue
A	CYS99
A	HIS401
A	HIS405
A	HIS411

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 502

Chain	Residue
A	HIS175
A	ASP177
A	HIS190
A	HIS203

---

site_id	AC3
Number of Residues	4
Details	binding site for residue CA A 503

Chain	Residue
A	GLY197
A	GLN199
A	ASP201
A	ASP165

---

site_id	AC4
Number of Residues	6
Details	binding site for residue CA A 504

Chain	Residue
A	ASP182
A	GLY183
A	ASP185
A	LEU187
A	ASP205
A	GLU208

---

site_id	AC5
Number of Residues	5
Details	binding site for residue NCO A 505

Chain	Residue
A	GLU130
A	ASP131
A	ASP206
A	GLU208
M	GLY16

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN B 501

Chain	Residue
B	CYS99
B	HIS401
B	HIS405
B	HIS411

---

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN B 502

Chain	Residue
B	HIS175
B	ASP177
B	HIS190
B	HIS203

---

site_id	AC8
Number of Residues	4
Details	binding site for residue CA B 503

Chain	Residue
B	ASP165
B	GLY197
B	GLN199
B	ASP201

---

site_id	AC9
Number of Residues	6
Details	binding site for residue CA B 504

Chain	Residue
B	ASP182
B	GLY183
B	ASP185
B	LEU187
B	ASP205
B	GLU208

---

site_id	AD1
Number of Residues	4
Details	binding site for residue NCO B 505

Chain	Residue
B	ASP131
B	ASP206
B	GLU208
B	HOH614

---

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN C 501

Chain	Residue
C	CYS99
C	HIS401
C	HIS405
C	HIS411

---

site_id	AD3
Number of Residues	4
Details	binding site for residue ZN C 502

Chain	Residue
C	HIS175
C	ASP177
C	HIS190
C	HIS203

---

site_id	AD4
Number of Residues	5
Details	binding site for residue CA C 503

Chain	Residue
C	ALA164
C	ASP165
C	GLY197
C	GLN199
C	ASP201

---

site_id	AD5
Number of Residues	6
Details	binding site for residue CA C 504

Chain	Residue
C	ASP182
C	GLY183
C	ASP185
C	LEU187
C	ASP205
C	GLU208

---

site_id	AD6
Number of Residues	4
Details	binding site for residue NCO C 505

Chain	Residue
C	SER129
C	ASP131
C	ASP206
C	GLU208

---

site_id	AD7
Number of Residues	10
Details	binding site for Di-peptide ARG J 66 and MET J 82

Chain	Residue
J	GLU16
J	THR17
J	LEU18
J	MET64
J	SER65
J	PHE67
J	THR68
J	LYS81
J	ASN83
J	LEU85

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL398-LEU407

---

site_id	PS00290
Number of Residues	7
Details	IG_MHC Immunoglobulins and major histocompatibility complex proteins signature. YACEVTH

Chain	Residue	Details
L	TYR192-HIS198
H	TYR196-HIS202

---

site_id	PS00546
Number of Residues	8
Details	CYSTEINE_SWITCH Matrixins cysteine switch. PRCGvPDL

Chain	Residue	Details
A	PRO97-LEU104

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: ACT_SITE => ECO:0000269|PubMed:12051944

Chain	Residue	Details
A	GLU402
B	GLU402
C	GLU402

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: in inhibited form => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439

Chain	Residue	Details
A	CYS99
B	CYS99
C	CYS99

---

site_id	SWS_FT_FI3
Number of Residues	36
Details	BINDING: BINDING => ECO:0000269|PubMed:12051944

Chain	Residue	Details
A	ASP131
A	ASP205
A	ASP206
A	GLU208
B	ASP131
B	ASP165
B	ASP182
B	GLY183
B	ASP185
B	LEU187
B	GLY197
A	ASP165
B	GLN199
B	ASP201
B	ASP205
B	ASP206
B	GLU208
C	ASP131
C	ASP165
C	ASP182
C	GLY183
C	ASP185
A	ASP182
C	LEU187
C	GLY197
C	GLN199
C	ASP201
C	ASP205
C	ASP206
C	GLU208
A	GLY183
A	ASP185
A	LEU187
A	GLY197
A	GLN199
A	ASP201

---

site_id	SWS_FT_FI4
Number of Residues	21
Details	BINDING: BINDING => ECO:0000269|PubMed:12051944, ECO:0000269|PubMed:12077439

Chain	Residue	Details
A	HIS175
B	HIS190
B	HIS203
B	HIS401
B	HIS405
B	HIS411
C	HIS175
C	ASP177
C	HIS190
C	HIS203
C	HIS401
A	ASP177
C	HIS405
C	HIS411
A	HIS190
A	HIS203
A	HIS401
A	HIS405
A	HIS411
B	HIS175
B	ASP177

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	SITE: Cleavage; by MMP3 => ECO:0000269|PubMed:1371271

Chain	Residue	Details
A	GLU59
A	ARG106
B	GLU59
B	ARG106
C	GLU59
C	ARG106

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN120
A	ASN127
B	ASN120
B	ASN127
C	ASN120
C	ASN127

---