Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3WWJ

Crystal structure of an engineered sitagliptin-producing transaminase, ATA-117-Rd11

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004084	molecular_function	branched-chain-amino-acid transaminase activity
A	0005829	cellular_component	cytosol
A	0006532	biological_process	aspartate biosynthetic process
A	0009098	biological_process	L-leucine biosynthetic process
A	0009099	biological_process	valine biosynthetic process
A	0046394	biological_process	carboxylic acid biosynthetic process
B	0003824	molecular_function	catalytic activity
B	0004084	molecular_function	branched-chain-amino-acid transaminase activity
B	0005829	cellular_component	cytosol
B	0006532	biological_process	aspartate biosynthetic process
B	0009098	biological_process	L-leucine biosynthetic process
B	0009099	biological_process	valine biosynthetic process
B	0046394	biological_process	carboxylic acid biosynthetic process
C	0003824	molecular_function	catalytic activity
C	0004084	molecular_function	branched-chain-amino-acid transaminase activity
C	0005829	cellular_component	cytosol
C	0006532	biological_process	aspartate biosynthetic process
C	0009098	biological_process	L-leucine biosynthetic process
C	0009099	biological_process	valine biosynthetic process
C	0046394	biological_process	carboxylic acid biosynthetic process
D	0003824	molecular_function	catalytic activity
D	0004084	molecular_function	branched-chain-amino-acid transaminase activity
D	0005829	cellular_component	cytosol
D	0006532	biological_process	aspartate biosynthetic process
D	0009098	biological_process	L-leucine biosynthetic process
D	0009099	biological_process	valine biosynthetic process
D	0046394	biological_process	carboxylic acid biosynthetic process
E	0003824	molecular_function	catalytic activity
E	0004084	molecular_function	branched-chain-amino-acid transaminase activity
E	0005829	cellular_component	cytosol
E	0006532	biological_process	aspartate biosynthetic process
E	0009098	biological_process	L-leucine biosynthetic process
E	0009099	biological_process	valine biosynthetic process
E	0046394	biological_process	carboxylic acid biosynthetic process
F	0003824	molecular_function	catalytic activity
F	0004084	molecular_function	branched-chain-amino-acid transaminase activity
F	0005829	cellular_component	cytosol
F	0006532	biological_process	aspartate biosynthetic process
F	0009098	biological_process	L-leucine biosynthetic process
F	0009099	biological_process	valine biosynthetic process
F	0046394	biological_process	carboxylic acid biosynthetic process
G	0003824	molecular_function	catalytic activity
G	0004084	molecular_function	branched-chain-amino-acid transaminase activity
G	0005829	cellular_component	cytosol
G	0006532	biological_process	aspartate biosynthetic process
G	0009098	biological_process	L-leucine biosynthetic process
G	0009099	biological_process	valine biosynthetic process
G	0046394	biological_process	carboxylic acid biosynthetic process
H	0003824	molecular_function	catalytic activity
H	0004084	molecular_function	branched-chain-amino-acid transaminase activity
H	0005829	cellular_component	cytosol
H	0006532	biological_process	aspartate biosynthetic process
H	0009098	biological_process	L-leucine biosynthetic process
H	0009099	biological_process	valine biosynthetic process
H	0046394	biological_process	carboxylic acid biosynthetic process
I	0003824	molecular_function	catalytic activity
I	0004084	molecular_function	branched-chain-amino-acid transaminase activity
I	0005829	cellular_component	cytosol
I	0006532	biological_process	aspartate biosynthetic process
I	0009098	biological_process	L-leucine biosynthetic process
I	0009099	biological_process	valine biosynthetic process
I	0046394	biological_process	carboxylic acid biosynthetic process
J	0003824	molecular_function	catalytic activity
J	0004084	molecular_function	branched-chain-amino-acid transaminase activity
J	0005829	cellular_component	cytosol
J	0006532	biological_process	aspartate biosynthetic process
J	0009098	biological_process	L-leucine biosynthetic process
J	0009099	biological_process	valine biosynthetic process
J	0046394	biological_process	carboxylic acid biosynthetic process
K	0003824	molecular_function	catalytic activity
K	0004084	molecular_function	branched-chain-amino-acid transaminase activity
K	0005829	cellular_component	cytosol
K	0006532	biological_process	aspartate biosynthetic process
K	0009098	biological_process	L-leucine biosynthetic process
K	0009099	biological_process	valine biosynthetic process
K	0046394	biological_process	carboxylic acid biosynthetic process
L	0003824	molecular_function	catalytic activity
L	0004084	molecular_function	branched-chain-amino-acid transaminase activity
L	0005829	cellular_component	cytosol
L	0006532	biological_process	aspartate biosynthetic process
L	0009098	biological_process	L-leucine biosynthetic process
L	0009099	biological_process	valine biosynthetic process
L	0046394	biological_process	carboxylic acid biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PLP A 401

Chain	Residue
A	ARG86
A	THR247
A	THR283
A	HOH502
A	HOH507
A	HOH535
A	HOH664
A	HOH669
A	LYS188
A	TRP192
A	GLU221
A	GLY224
A	ASN226
A	LEU243
A	GLY245
A	ILE246

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE PLP B 401

Chain	Residue
B	ARG86
B	LYS188
B	TRP192
B	GLU221
B	GLY222
B	GLY224
B	PHE225
B	ASN226
B	LEU243
B	GLY245
B	ILE246
B	THR247
B	THR283
B	HOH505
B	HOH526
B	HOH540
B	HOH629
B	HOH644

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PLP C 401

Chain	Residue
C	ARG86
C	LYS188
C	GLU221
C	GLY222
C	GLY224
C	PHE225
C	ASN226
C	LEU243
C	GLY245
C	ILE246
C	THR247
C	THR283
C	HOH505
C	HOH515
C	HOH532
C	HOH614

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PLP D 401

Chain	Residue
D	ARG86
D	LYS188
D	GLU221
D	GLY224
D	LEU243
D	GLY245
D	ILE246
D	THR247
D	THR283
D	HOH508
D	HOH528
D	HOH536
D	HOH606

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PLP E 401

Chain	Residue
E	ARG86
E	LYS188
E	TRP192
E	GLU221
E	GLY224
E	PHE225
E	LEU243
E	GLY245
E	ILE246
E	THR247
E	THR283
E	HOH506
E	HOH514
E	HOH541
E	HOH575

site_id	AC6
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PLP F 401

Chain	Residue
F	ARG86
F	LYS188
F	GLU221
F	GLY224
F	ASN226
F	LEU243
F	GLY245
F	ILE246
F	THR247
F	THR283
F	HOH504
F	HOH518
F	HOH555
F	HOH586
F	HOH611

site_id	AC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PLP G 401

Chain	Residue
G	LEU243
G	GLY245
G	ILE246
G	THR247
G	THR283
G	HOH505
G	HOH535
G	HOH536
G	HOH691
G	ARG86
G	LYS188
G	GLU221
G	GLY224
G	PHE225
G	ASN226

site_id	AC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE PLP H 401

Chain	Residue
H	ARG86
H	LYS188
H	TRP192
H	GLU221
H	GLY224
H	PHE225
H	ASN226
H	LEU243
H	GLY245
H	ILE246
H	THR247
H	THR283
H	HOH529
H	HOH532
H	HOH538
H	HOH603
H	HOH663

site_id	AC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE PLP I 401

Chain	Residue
I	ARG86
I	LYS188
I	TRP192
I	GLU221
I	GLY224
I	PHE225
I	ASN226
I	LEU243
I	GLY245
I	ILE246
I	THR247
I	THR283
I	HOH511
I	HOH517
I	HOH535
I	HOH573
I	HOH609

site_id	BC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PLP J 401

Chain	Residue
J	ARG86
J	LYS188
J	GLU221
J	GLY224
J	PHE225
J	ASN226
J	LEU243
J	GLY245
J	ILE246
J	THR247
J	THR283
J	HOH505
J	HOH552
J	HOH568
J	HOH588
J	HOH601

site_id	BC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PLP K 401

Chain	Residue
K	ARG86
K	LYS188
K	TRP192
K	GLU221
K	GLY224
K	ASN226
K	LEU243
K	GLY245
K	ILE246
K	THR247
K	SER282
K	THR283
K	HOH536
K	HOH539
K	HOH555
K	HOH578

site_id	BC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PLP L 401

Chain	Residue
L	ARG86
L	LYS188
L	GLU221
L	GLY224
L	PHE225
L	ASN226
L	LEU243
L	GLY245
L	ILE246
L	THR247
L	SER282
L	THR283
L	HOH525
L	HOH536
L	HOH540
L	HOH572

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)