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Receptor
PDB id Resolution Class Description Source Keywords
1DJ9 2 Å EC: 2.3.1.47 CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KET 8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND P RODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BI OSYNTHETIC PATHWAY. ESCHERICHIA COLI 8-AMINO-7-OXONONANOATE SYNTHASE BIOTIN PYRIDOXAL-5-prime -PHOSPHTRANSFERASE
Ref.: MECHANISM OF 8-AMINO-7-OXONONANOATE SYNTHASE: SPECT KINETIC, AND CRYSTALLOGRAPHIC STUDIES. BIOCHEMISTRY V. 39 516 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KAM A:400;
Valid;
none;
submit data
418.379 C17 H27 N2 O8 P Cc1c(...
MG A:500;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:401;
A:402;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DJ9 2 Å EC: 2.3.1.47 CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KET 8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND P RODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BI OSYNTHETIC PATHWAY. ESCHERICHIA COLI 8-AMINO-7-OXONONANOATE SYNTHASE BIOTIN PYRIDOXAL-5-prime -PHOSPHTRANSFERASE
Ref.: MECHANISM OF 8-AMINO-7-OXONONANOATE SYNTHASE: SPECT KINETIC, AND CRYSTALLOGRAPHIC STUDIES. BIOCHEMISTRY V. 39 516 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KAM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 KAM 1 1
2 PDA 0.68 0.904762
3 PP3 0.68 0.904762
4 PDD 0.68 0.904762
5 N5F 0.626506 0.9375
6 PDG 0.609756 0.921875
7 PGU 0.609756 0.921875
8 2BO 0.6 0.875
9 2BK 0.6 0.875
10 TLP 0.6 0.875
11 PLG 0.597403 0.890625
12 76U 0.595238 0.907692
13 PPD 0.592593 0.890625
14 ILP 0.590361 0.876923
15 PY5 0.585366 0.893939
16 PLS 0.580247 0.861538
17 IN5 0.576923 0.873016
18 PY6 0.576471 0.924242
19 C6P 0.573171 0.861538
20 QLP 0.564706 0.867647
21 7XF 0.552941 0.892308
22 ORX 0.551724 0.907692
23 PL4 0.550562 0.907692
24 LPI 0.546512 0.882353
25 PE1 0.545455 0.907692
26 P1T 0.536585 0.823529
27 EA5 0.534091 0.880597
28 IK2 0.53012 0.850746
29 PLA 0.529412 0.893939
30 PMG 0.528736 0.924242
31 AQ3 0.515789 0.811594
32 5PA 0.505882 0.850746
33 CBA 0.5 0.808824
34 33P 0.494118 0.859375
35 HEY 0.488889 0.893939
36 3LM 0.483516 0.814286
37 PSZ 0.483516 0.774648
38 PXP 0.473684 0.761905
39 PL2 0.461538 0.811594
40 PMH 0.454545 0.658228
41 RW2 0.452632 0.826087
42 PXG 0.452632 0.833333
43 PMP 0.448718 0.825397
44 GT1 0.443038 0.712121
45 7TS 0.434783 0.666667
46 DCS 0.430108 0.696203
47 PL8 0.418367 0.783784
48 9YM 0.416667 0.757143
49 7B9 0.41 0.816901
50 PL6 0.408602 0.784615
51 PLP 2KZ 0.402174 0.80303
52 RMT 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DJ9; Ligand: KAM; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 1dj9.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1PMO PLR 1.30208
2 2HHP FLC 1.30208
3 1B9I PXG 1.5625
4 2HOX P1T 1.5625
5 5W19 9TD 1.82292
6 3ZRR PXG 1.82292
7 4BA5 PXG 1.82292
8 1O69 X04 1.82292
9 1LC8 33P 1.92308
10 5GVL PLG 2.08333
11 5GVL GI8 2.08333
12 5VEQ PMP 2.08333
13 4FL0 PLP 2.08333
14 3ZOK GLY 2.1164
15 6CZY PMP 2.20994
16 6C3C EJ1 2.34375
17 4ZSY RW2 2.34375
18 5IWQ PLP 2.34375
19 3FRK TQP 2.41287
20 5KGS 6SR 2.60417
21 4ZAH T5K 2.60417
22 2X5F PLP 2.60417
23 5DDW 5B6 2.60417
24 6CBO DOW 2.60417
25 1VJO PLP 2.86458
26 1MLY ACZ PLP 2.86458
27 3BS8 PMP 2.86458
28 4WXG 2BO 3.03738
29 2ZYJ PGU 3.125
30 1GCK ASP PLP 3.125
31 1XI9 PLP 3.125
32 3WGC PLG 3.22581
33 2FYF PLP 3.26633
34 4LNL 2BK 3.3033
35 4LNL 2BO 3.3033
36 4LNL PLG 3.3033
37 5M3Z PLP 3.38542
38 5M3Z PY6 3.38542
39 5M3Z NLE 3.38542
40 3PDB PMP 3.38542
41 3PD6 PMP 3.38542
42 5U23 TQP 3.38542
43 4AOA IK2 3.38542
44 1JS3 PLP 142 3.38542
45 4RKC PMP 3.38542
46 4M2K PLP 3.64583
47 1E5F PLP 3.90625
48 4JE5 PMP 3.90625
49 4JE5 PLP 3.90625
50 3LL5 ADP 4.01606
51 3LL5 IPE 4.01606
52 6CD1 PLS 4.16667
53 6CD1 PLG 4.16667
54 4HVK PMP 4.18848
55 5NTP 98E 4.20168
56 2R2N PMP 4.42708
57 2TPL HPP 4.42708
58 6ECG PM9 4.42708
59 2R2N KYN 4.42708
60 4E1O PLP PVH 4.42708
61 4AZJ SEP PLP 4.44444
62 5LDQ NAP 4.51977
63 2PEL LBT 4.66102
64 5DHU 5A8 4.77941
65 2X5D PLP 4.85437
66 1M32 PLP 4.91803
67 2Z9V PXM 4.94792
68 1M7Y PPG 4.94792
69 3EI9 PL6 4.94792
70 4E3Q PMP 4.94792
71 1SFF IK2 4.94792
72 3BWN PMP 5.20833
73 1AJS PLA 5.20833
74 3BWN PMP PHE 5.20833
75 1T9D FAD 5.20833
76 3VP6 HLD 5.46875
77 1C7O PPG 5.46875
78 1LW4 TLP 5.4755
79 1LW4 PLP 5.4755
80 2OGA PGU 5.72917
81 5W70 9YM 5.8427
82 1ELU PDA 5.98958
83 5ECP MET 6.27803
84 1OXO IK2 6.51042
85 1TOI HCI 6.77083
86 4UHO PLP 7.03125
87 6DND PLP 7.29167
88 5W71 9YM 7.29167
89 5W71 PLP 7.29167
90 1U08 PLP 7.55208
91 6EWR PMP 7.55208
92 2HW1 FRU 7.71812
93 2ZC0 PMP 7.8125
94 6FYQ PLP 7.8125
95 3CQ5 PMP 7.85908
96 3B8X G4M 8.07292
97 2R5C C6P 8.33333
98 2R5E QLP 8.33333
99 6C92 EQJ 8.51064
100 6C8T EQJ 8.51064
101 6C9B EGV 8.51064
102 5X30 7XF 8.59375
103 5X30 4LM 8.59375
104 5X2Z 3LM 8.59375
105 2CJH AKG 9.89583
106 4K2M O1G 10.1562
107 4ZM4 PLP 10.4167
108 4ZM4 P3B 10.4167
109 1DFO PLG 10.6771
110 5WYF ILP 11.1979
111 1GEX PLP HSA 11.236
112 1GDE GLU PLP 13.5417
113 4ADC PLP 13.5417
114 2PO3 T4K 13.8021
115 1ZC9 PMP 13.8021
116 5G4J EXT 14.0625
117 4R5Z SIN 14.5833
118 4R5Z PMP 14.5833
119 4IYO 0JO 14.8438
120 4IY7 KOU 14.8438
121 4IY7 0JO 14.8438
122 1MDZ DCS 15.1042
123 1MDZ PLP 15.1042
124 3A8U PLP 15.3646
125 1CL2 PPG 15.625
126 3DR4 G4M 15.8854
127 2FNU PMP UD1 16
128 1WYV PLP AOA 16.895
129 5YKT PMP 17.4479
130 3FQ8 PMP 18.75
131 5G09 6DF 19.0104
132 3NUB UD0 19.4986
133 5K8B PDG 20.5729
134 4UOX PLP 21.3542
135 4UOX PUT 21.3542
136 1UU1 PMP HSA 22.9851
137 4B98 PXG 29.6875
138 2WK9 PLG 40.625
139 2WK9 PLP 40.625
140 5TXR PLP 44.5312
141 2XBN PMP 46.3542
142 1FC4 AKB PLP 50
Pocket No.: 2; Query (leader) PDB : 1DJ9; Ligand: KAM; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1dj9.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1MUU SUC 2.08333
2 5YZC NAG 6.38298
3 2OAT PFM 27.3438
Pocket No.: 3; Query (leader) PDB : 1DJ9; Ligand: KAM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1dj9.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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