3QXV

Structure of an Anti-Methotrexate CDR1-4 Graft VHH Antibody in Complex with Methotrexate

Functional Information from PDB Data

site_id	AC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE MTX A 2000

Chain	Residue
A	VAL4
A	ARG74
A	ASP75
A	ASN76
A	TYR79
A	LEU80
A	VAL81
A	ALA100
A	HOH1009
A	CYS24
A	ALA26
A	ARG28
A	ARG29
A	SER30
A	SER31
A	TRP34
A	MET36

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 3000

Chain	Residue
A	GLN41
A	ARG47
A	ARG110

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 B 3000

Chain	Residue
B	GLU46
B	ARG47

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 3001

Chain	Residue
B	SER33
B	ALA35
B	SER54
B	GLY55
B	ASP102

---

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE MTX B 2000

Chain	Residue
B	VAL4
B	CYS24
B	ALA26
B	ARG28
B	SER30
B	SER31
B	TRP34
B	ARG74
B	ASP75
B	ASN76
B	TYR79
B	LEU80
B	VAL81
B	ALA100
B	TYR120

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE MTX C 2000

Chain	Residue
C	CYS24
C	ALA26
C	ARG28
C	SER30
C	MET36
C	ARG74
C	ASP75
C	ASN76
C	TYR79
C	LEU80
C	VAL81
C	ALA100

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 3000

Chain	Residue
C	GLN41
C	ARG47
C	ARG110

---

site_id	AC8
Number of Residues	16
Details	BINDING SITE FOR RESIDUE MTX D 2000

Chain	Residue
D	VAL4
D	CYS24
D	ALA26
D	ARG28
D	SER30
D	SER31
D	TRP34
D	ARG74
D	ASP75
D	ASN76
D	TYR79
D	LEU80
D	VAL81
D	ALA100
D	TYR120
D	HOH1003

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE MTX E 2000

Chain	Residue
D	GLY44
E	CYS24
E	ALA26
E	ARG28
E	SER30
E	SER31
E	TRP34
E	MET36
E	ARG74
E	ASP75
E	ASN76
E	TYR79
E	LEU80
E	VAL81
E	ALA100

---