4QBB

Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004197	molecular_function	cysteine-type endopeptidase activity
A	0016032	biological_process	viral process
A	0019082	biological_process	viral protein processing
B	0004197	molecular_function	cysteine-type endopeptidase activity
B	0016032	biological_process	viral process
B	0019082	biological_process	viral protein processing
C	0004197	molecular_function	cysteine-type endopeptidase activity
C	0016032	biological_process	viral process
C	0019082	biological_process	viral protein processing

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE K A 201

Chain	Residue
A	LYS108
A	LEU111
A	THR113
A	HOH339
A	HOH340
A	HOH413

---

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE E69 A 202

Chain	Residue
A	CYS51
A	TRP52
A	GLU96
A	GLY97
A	GLY98
A	LEU143
A	GLU147
A	HIS148
A	ALA149
A	ASP163
A	ASP164
A	HOH403
A	HOH414
A	ASN46
A	ASP49
A	ASN50

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE E69 B 201

Chain	Residue
B	ASN46
B	ASP49
B	ASN50
B	CYS51
B	TRP52
B	GLU96
B	GLY97
B	GLY98
B	GLN146
B	GLU147
B	HIS148
B	HOH356
B	HOH360
C	SER119
C	ARG120
C	HOH328

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE E69 C 201

Chain	Residue
B	SER119
B	ARG120
B	THR130
B	HOH370
C	ASN46
C	ASP49
C	ASN50
C	CYS51
C	TRP52
C	GLU96
C	GLY97
C	GLY98
C	LEU143
C	GLN146
C	GLU147
C	HIS148

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 C 202

Chain	Residue
C	TYR42
C	ARG61
C	SER73
C	HOH367
C	HOH397

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"description":"For leader protease activity","evidences":[{"source":"PubMed","id":"29463763","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9857201","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"For leader protease activity","evidences":[{"source":"PubMed","id":"29463763","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 746

Chain	Residue	Details
A	ASN46	electrostatic stabiliser, polar interaction
A	CYS51	electrostatic stabiliser, polar interaction
A	HIS148	hydrogen bond acceptor, proton acceptor, proton donor
A	ASP163	electrostatic stabiliser, hydrogen bond donor

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 746

Chain	Residue	Details
B	ASN46	electrostatic stabiliser, polar interaction
B	CYS51	electrostatic stabiliser, polar interaction
B	HIS148	hydrogen bond acceptor, proton acceptor, proton donor
B	ASP163	electrostatic stabiliser, hydrogen bond donor

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 746

Chain	Residue	Details
C	ASN46	electrostatic stabiliser, polar interaction
C	CYS51	electrostatic stabiliser, polar interaction
C	HIS148	hydrogen bond acceptor, proton acceptor, proton donor
C	ASP163	electrostatic stabiliser, hydrogen bond donor

---