-->
Receptor
PDB id Resolution Class Description Source Keywords
3E2Y 2.26 Å EC: 2.6.1.7 CRYSTAL STRUCTURE OF MOUSE KYNURENINE AMINOTRANSFERASE III I WITH GLUTAMINE MUS MUSCULUS ALPHA BETA PROTEIN PLP DEPENDENT PROTEIN AMINOTRANSFERASEPYRIDOXAL PHOSPHATE TRANSFERASE
Ref.: CORRECTION FOR HAN ET AL., "BIOCHEMICAL AND STRUCTU PROPERTIES OF MOUSE KYNURENINE AMINOTRANSFERASE III MOL. CELL. BIOL. V. 38 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:458;
A:459;
B:458;
B:459;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PMP A:457;
B:456;
Valid;
Valid;
none;
none;
submit data
248.173 C8 H13 N2 O5 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VEQ 2.26 Å EC: 2.6.1.7 MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE STRUCTURE 3E2Y MUS MUSCULUS AMINOTRANSFERASE III MOUSE RE-REFINEMENT TRANSFERASE
Ref.: DETECT, CORRECT, RETRACT: HOW TO MANAGE INCORRECT S MODELS. FEBS J. V. 285 444 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
3 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3FVU - IAC C10 H9 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMP; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 PMP 1 1
2 PXP 0.7 0.888889
3 GT1 0.673077 0.793103
4 PLG 0.57377 0.866667
5 IN5 0.57377 0.912281
6 P1T 0.571429 0.825397
7 PLR 0.557692 0.781818
8 2BK 0.553846 0.881356
9 2BO 0.553846 0.881356
10 TLP 0.553846 0.881356
11 PDD 0.546875 0.881356
12 PP3 0.546875 0.881356
13 PDA 0.546875 0.881356
14 ILP 0.544118 0.852459
15 IK2 0.538462 0.825397
16 33P 0.538462 0.896552
17 PMH 0.530303 0.742857
18 5PA 0.530303 0.825397
19 PLS 0.530303 0.866667
20 PLP 0.527273 0.767857
21 PPD 0.522388 0.866667
22 C6P 0.522388 0.866667
23 ORX 0.521127 0.854839
24 PXM 0.52 0.735849
25 PZP 0.517857 0.836364
26 PLA 0.514706 0.8125
27 PY5 0.514706 0.8125
28 PL2 0.514286 0.84127
29 QLP 0.514286 0.815385
30 PE1 0.513889 0.854839
31 PPG 0.513514 0.825397
32 P0P 0.508772 0.8
33 HEY 0.507042 0.8125
34 PDG 0.5 0.83871
35 CBA 0.5 0.83871
36 EA5 0.5 0.828125
37 3LM 0.5 0.787879
38 7XF 0.5 0.83871
39 7TS 0.5 0.702703
40 PGU 0.5 0.83871
41 9YM 0.493151 0.868852
42 DCS 0.492958 0.712329
43 PMG 0.492958 0.787879
44 LPI 0.492958 0.776119
45 LCS 0.492958 0.675676
46 76U 0.486111 0.825397
47 PY6 0.486111 0.787879
48 PL4 0.48 0.854839
49 PSZ 0.479452 0.8
50 N5F 0.479452 0.825397
51 0JO 0.462687 0.714286
52 4LM 0.462687 0.725806
53 AN7 0.461538 0.741379
54 PXG 0.460526 0.866667
55 RW2 0.460526 0.8
56 FOO 0.454545 0.75
57 PL8 0.454545 0.732394
58 NPL 0.45 0.898305
59 FEV 0.449275 0.714286
60 KAM 0.448718 0.825397
61 RMT 0.448718 0.765625
62 1D0 0.444444 0.8
63 2B1 0.443038 0.690141
64 7B9 0.443038 0.764706
65 P3D 0.442857 0.85
66 EVM 0.442857 0.786885
67 EPC 0.439394 0.789474
68 MP5 0.438596 0.728814
69 PLP CYS 0.43662 0.836066
70 EXT 0.432836 0.79661
71 AQ3 0.426829 0.8125
72 2B6 0.426829 0.662162
73 MPM 0.414286 0.75
74 F0G 0.414286 0.762712
75 PLP 2TL 0.410959 0.85
76 KOU 0.408451 0.8
77 PLP SEP 0.405405 0.85
78 PLP BH2 0.405405 0.85
79 SEP PLP 0.405405 0.85
80 HCP 0.402778 0.741935
81 LEU PLP 0.4 0.822581
82 Z98 0.4 0.777778
83 PFM 0.4 0.770492
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 153
This union binding pocket(no: 1) in the query (biounit: 5veq.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1FC4 AKB PLP 1.24688
2 5NC1 NAG 1.26582
3 5ENZ UDP 1.55844
4 6DND PLP 1.70316
5 2WK9 PLG 1.79949
6 2WK9 PLP 1.79949
7 5YLT C7N 1.90114
8 5YLT SFG 1.90114
9 2HOX P1T 1.94647
10 4ZSY RW2 1.94647
11 2UUU FAD 1.94647
12 2Z9V PXM 2.04082
13 1DJ9 KAM 2.08333
14 5IWQ PLP 2.18978
15 5W19 9TD 2.18978
16 1ZC9 PMP 2.18978
17 1QO8 FAD 2.18978
18 1ELU PDA 2.30769
19 1ELU CSS 2.30769
20 5TXR PLP 2.43309
21 4RVG TYD 2.43309
22 4RVG SAM 2.43309
23 4YWV SSN 2.43309
24 5CQG 55C 2.43309
25 2Q4W FAD 2.43309
26 6ECG PM9 2.6764
27 1DFO PLG 2.6764
28 4P8K 38C 2.70833
29 4P8K FAD 2.70833
30 6FBA D48 2.86533
31 1JS3 PLP 142 2.91971
32 4HNN LYS 2.91971
33 6CZY PMP 3.03867
34 3A8U PLP 3.16302
35 4UHO PLP 3.16302
36 4UOX PLP 3.16302
37 2FYF PLP 3.26633
38 3VP6 HLD 3.40633
39 5W70 9YM 3.40633
40 4B98 PXG 3.40633
41 1AJS PLA 3.64964
42 6FYQ PLP 3.64964
43 5KGS 6SR 3.64964
44 1SFF IK2 3.64964
45 4NES UDP 3.74332
46 2AY3 MPP 3.80711
47 2TPL HPP 3.89294
48 4E1O PLP PVH 4.13625
49 4BA5 PXG 4.13625
50 4RKC PMP 4.27136
51 2HW1 ANP 4.36242
52 4ZM4 PLP 4.37956
53 4C3Y FAD 4.5283
54 4C3Y ANB 4.5283
55 1TOI HCI 4.54545
56 1PMO PLR 4.62287
57 4LNU GTP 4.86618
58 2XBN PMP 5.10949
59 4WXG 2BO 5.10949
60 3PD6 PMP 5.23691
61 3PDB PMP 5.23691
62 5YKT PMP 5.3528
63 5N5S NAP 5.63107
64 6C3C EJ1 6.08273
65 2PO3 T4K 6.08273
66 1Z0S ATP 6.11511
67 4AZJ SEP PLP 6.38889
68 2CJH AKG 6.4588
69 4POJ 2VP 6.49351
70 1BCJ NGA 6.49351
71 5EYP GTP 6.50888
72 5EYP GDP 6.50888
73 4E3Q PMP 6.56934
74 2OYL IDC 6.56934
75 1CL2 PPG 6.58228
76 6EWR PMP 7.05596
77 1B9I PXG 7.2165
78 3WGC PLG 7.33138
79 4DZ1 DAL 7.33591
80 3BEO UDP 8.53333
81 3NUB UD0 8.91365
82 4LNL PLG 9.00901
83 4LNL 2BO 9.00901
84 4LNL 2BK 9.00901
85 2X5F PLP 9.48905
86 5OE4 3UK 9.58231
87 3RI1 3RH 9.58466
88 4ZAH T5K 9.84848
89 5GVL GI8 10.219
90 5GVL PLG 10.219
91 3FQ8 PMP 10.219
92 5K8B PDG 10.4623
93 5W71 9YM 10.7056
94 6CD1 PLS 10.7056
95 5W71 PLP 10.7056
96 6CD1 PLG 10.7056
97 5WYF ILP 10.9489
98 3RYC GTP 11.1888
99 4JE5 PMP 11.1922
100 4JE5 PLP 11.1922
101 4K2M O1G 11.1922
102 3DR4 G4M 11.509
103 1O69 X04 11.6751
104 6C9B EGV 11.7021
105 2FNU PMP UD1 11.7333
106 2OGA PGU 11.7794
107 3B8X G4M 11.7949
108 3FRK TQP 11.7962
109 1LW4 PLP 11.8156
110 1LW4 TLP 11.8156
111 1OXO IK2 11.9701
112 4HVK PMP 12.3037
113 5X30 7XF 12.8141
114 5X30 4LM 12.8141
115 5X2Z 3LM 12.8141
116 4IY7 KOU 12.8463
117 4IY7 0JO 12.8463
118 4IYO 0JO 12.8463
119 1MDZ PLP 13.9949
120 1MDZ DCS 13.9949
121 1E5F PLP 14.3564
122 6C92 EQJ 14.6277
123 6C8T EQJ 14.6277
124 5M3Z PLP 14.8241
125 5M3Z PY6 14.8241
126 5M3Z NLE 14.8241
127 4ADC PLP 15.7635
128 1WYV PLP AOA 16.8776
129 1VJO PLP 17.2749
130 5U23 TQP 17.2775
131 3CQ5 PMP 17.8862
132 3BWN PMP 17.9028
133 3BWN PMP PHE 17.9028
134 4M2K PLP 18.4729
135 3ZRR PXG 19.7917
136 1MLY ACZ PLP 19.9513
137 1C7O PPG 20.802
138 1LC8 33P 22.5275
139 3EI9 PL6 23.601
140 1GEX PLP HSA 23.8764
141 1UU1 PMP HSA 23.8806
142 2R2N PMP 24.0876
143 2R2N KYN 24.0876
144 4FL0 PLP 25.3041
145 4R5Z PMP 26.9755
146 4R5Z SIN 26.9755
147 2ZYJ PGU 27.4559
148 2ZC0 PMP 28.9926
149 1M7Y PPG 30.9002
150 1XI9 PLP 35.468
151 2X5D PLP 40.8759
152 1GCK ASP PLP 44.6753
153 1GDE GLU PLP 46.7866
Pocket No.: 2; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 5veq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3VPC ADP 2.12766
2 4PTN GXV 2.33236
3 3IHB GLU 2.6764
4 2HJ9 AI2 2.94985
5 1FNZ A2G 2.95359
6 2WPB ZZI 2.96053
7 2Z7I 742 3.82353
8 1L5Y BEF 5.16129
9 5ITZ GDP 5.51181
10 1CX9 NHP 5.97015
11 5ESO TDP 6.56934
12 5ESO ISC 6.56934
13 3VPB ADP 12.5
14 3D72 FAD 19.4631
Pocket No.: 3; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 5veq.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1F6D UDP 3.7234
2 1WUW TSU 37.7778
Pocket No.: 4; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5veq.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5veq.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5VEQ; Ligand: PMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5veq.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback