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Receptor
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2PG A:441;
B:441;
Valid;
Valid;
none;
none;
submit data
186.057 C3 H7 O7 P C([C@...
CL B:950;
Invalid;
none;
submit data
35.453 Cl [Cl-]
K B:960;
Part of Protein;
none;
submit data
39.098 K [K+]
MG A:438;
A:439;
B:438;
B:439;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PEP A:440;
B:440;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AL2 1.85 Å EC: 4.2.1.11 CRYSTAL STRUCTURE ANALYSIS OF ENOLASE MG SUBUNIT COMPLEX AT PH 8.0 SACCHAROMYCES CEREVISIAE BETA BARREL LYASE
Ref.: STRUCTURE AND CATALYTIC PROPERTIES OF AN ENGINEERED HETERODIMER OF ENOLASE COMPOSED OF ONE ACTIVE AND ONE INACTIVE SUBUNIT J.MOL.BIOL. V. 355 422 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2AL2 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2PG; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 2PG 1 1
2 PEZ 0.642857 0.8
3 DG2 0.5625 0.939394
4 0V5 0.482759 0.705882
5 PEQ 0.482759 0.705882
6 G2H 0.481481 0.882353
7 XSP 0.451613 0.757576
8 036 0.439024 0.810811
9 035 0.439024 0.810811
Ligand no: 2; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AL2; Ligand: PEP; Similar sites found with APoc: 132
This union binding pocket(no: 1) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6MJF SAH 1.5544
2 2A2C NG1 1.6055
3 2A2C ADP 1.6055
4 2PCU ASP 1.63934
5 2HJR CIT 1.82927
6 5ZMY TAR 1.91083
7 4RPL FAD 2.00501
8 2PI8 NAG NAG NAG NAG NAG NAG 2.02899
9 2C42 TPP 2.06422
10 2C42 PYR 2.06422
11 2WET FAD 2.06422
12 1RP0 AHZ 2.11268
13 5K4W THR 2.18069
14 2Q0L FAD 2.2508
15 6C4A PYR 2.29358
16 1TMO 2MD 2.29358
17 3E4O SIN 2.29508
18 3DER ALA LYS 2.31884
19 2DUR MAN MAN 2.37154
20 6G28 AR6 2.45232
21 1XS5 MET 2.48963
22 3FWN 6PG 2.52294
23 5NM7 GLY 2.63158
24 6BQ6 TER 2.71903
25 5K5Z ANP 2.86624
26 2AWN ADP 2.88714
27 4QMN DB8 2.90323
28 4QM7 GTP 2.92398
29 6GEW SFG 2.92683
30 6GEW SAH 2.92683
31 3QDK QDK 2.98165
32 5XGX DAS DLY 3.03797
33 4XFR CIT 3.0445
34 4GKY MAN 3.06513
35 1JJ7 ADP 3.07692
36 3ZNN 4WL 3.21101
37 3ZNN FAD 3.21101
38 1KKR 2AS 3.21101
39 4IP7 FLC 3.21101
40 1V97 MTE 3.21101
41 2JJK R15 3.25444
42 1JGT APC 3.31384
43 1B0U ATP 3.43511
44 1U7Z PMT 3.44037
45 3ITJ CIT 3.5503
46 5A5W GUO 3.55731
47 1RJ9 GCP 3.66667
48 5WJ6 B4A 3.66972
49 1SVM ATP 3.71353
50 1PVN MZP 3.7234
51 4YAG NAI 3.80623
52 2E0N SAH 3.861
53 1I8T FAD 4.08719
54 3GD4 FAD 4.10959
55 2XTZ GSP 4.23729
56 2Q3M MLA 4.29448
57 6FQZ 6PG 4.3578
58 1RRC ADP 4.65116
59 2PT9 S4M 4.6729
60 4I4B NAD 4.6729
61 1Q9I TEO 4.81651
62 1Q9I FAD 4.81651
63 4RDL FUC GAL NDG FUC 4.87013
64 2PZE ATP 5.04587
65 4WZ6 ATP 5.04587
66 3GE7 AFQ 5.18135
67 2I7C AAT 5.30035
68 6AM8 PLT 5.30303
69 3CX8 GSP 5.41872
70 5Y1G NAD 5.4878
71 5Y1G AKB 5.4878
72 3WMX THR 5.50459
73 1R27 MGD 5.50459
74 1CX4 CMP 5.57377
75 4JNA FAD 5.58824
76 4UIB GWX 5.86319
77 5FII PHE 5.88235
78 4GV8 DUP 5.91716
79 5KJZ PCG 6
80 2W5P CL8 6.04027
81 4U00 ADP 6.14754
82 1EU1 MGD 6.19266
83 4QYS PLP SEP 6.19266
84 4OFG PCG 6.25
85 2CJF RP4 6.36943
86 3ORF NAD 6.3745
87 5ZI9 FLC 6.42202
88 3A4M ADP 6.53846
89 5T9E NAP 6.64207
90 2OFW ADX 6.73077
91 4L9Z COA 6.78466
92 4L9Z OXL 6.78466
93 1YQT ADP 6.88073
94 3WGT FAD 6.88073
95 3R7F CP 6.88073
96 5YV5 ADP 6.88073
97 4GLW NMN 7.21311
98 2J5V PCA 7.35695
99 2Z48 NGA 7.63889
100 4ITM ATP 7.93651
101 2OG2 MLI 8.07799
102 4OUE IPT 8.25688
103 1G6H ADP 8.94942
104 1JQ3 AAT 9.12162
105 2F1K NAP 9.319
106 4WZA ACP 9.42029
107 4WZA ADP 9.42029
108 5U5G 7VD 9.49153
109 3B9Q MLI 9.60265
110 4PPF FLC 9.71429
111 2PV7 NAD 10.0671
112 1TKK ALA GLU 10.1093
113 1C0I FAD 10.1928
114 1C0I BE2 10.1928
115 2P8B NSK 10.2981
116 6EOM ALA LYS 10.3211
117 2D2F ADP 10.4
118 1R6W 164 10.559
119 2ZE7 AMP 11.0092
120 1J0D 5PA 11.1437
121 4X8O AP5 11.6822
122 2CBZ ATP 11.8143
123 5L3R GCP 12.2924
124 1SJD NPG 13.0435
125 1ZUI SKM 13.0952
126 1GXU 2HP 13.1868
127 4AUT FAD 13.5321
128 1N62 MCN 15.6627
129 5JAX 6J7 17.037
130 4KCT PYR 17.4312
131 2CK3 ADP 23.2877
132 4LOO SB4 27.5862
Pocket No.: 2; Query (leader) PDB : 2AL2; Ligand: 2PG; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1W31 SHO 1.75439
2 2BP1 NDP 1.94444
3 2BW7 ECS 2.28311
4 3DER ALA LYS 2.31884
5 1KNM LAT 3.07692
6 1KKR 2AS 3.21101
7 3ZNN FAD 3.21101
8 3ZNN 4WL 3.21101
9 4IP7 FLC 3.21101
10 2V2V V12 3.32103
11 5C79 PBU 3.33333
12 4NW6 2NS 3.71517
13 1SL6 GAL NDG FUC 3.80435
14 4H8N NDP 3.87097
15 1JJE BYS 4.05405
16 5M67 3D1 4.12844
17 5M67 NAD 4.12844
18 3VPD ANP 4.12844
19 2C91 NAP 4.14201
20 5IDB BMA 4.22535
21 3OND ADN 4.3578
22 3OND NAD 4.3578
23 2IV2 MGD 4.3578
24 3LJU IP9 4.40415
25 5TVM PUT 4.70588
26 1M1B SPV 4.74576
27 6CCU PRO HIS ARG VAL 4.83871
28 4RDL FUC GAL NDG FUC 4.87013
29 3T0W DIW 4.87805
30 3GE7 AFQ 5.18135
31 4OUJ LBT 5.21173
32 2FR6 CTN 5.47945
33 5Y1G AKB 5.4878
34 3WMX THR 5.50459
35 4JGP PYR 5.52995
36 5XFV FMN 5.68862
37 3DG6 MUC 6.26703
38 4G9N NGA 6.29371
39 4ZOH MCN 6.54762
40 5NJI 8Z2 6.8323
41 4GLW NMN 7.21311
42 5A89 ADP 7.69231
43 5A89 FMN 7.69231
44 1UPR 4IP 8.13008
45 4DOO DAO 9.26829
46 1QFT HSM 9.71429
47 1TKK ALA GLU 10.1093
48 2P8B NSK 10.2981
49 6EOM ALA LYS 10.3211
50 1UNQ 4IP 10.4
51 1R6W 164 10.559
52 2GAG FOA 11.4286
53 5BVA FAD 12.3853
54 1SJD NPG 13.0435
55 3AD8 FAD 13.1313
56 3AD8 PYC 13.1313
57 4POS NAG SIA GAL 15.4676
58 1GVE NAP 16.5138
59 4KCT PYR 17.4312
60 3R1Z ALA DGL 24.8021
Pocket No.: 3; Query (leader) PDB : 2AL2; Ligand: 2PG; Similar sites found with APoc: 116
This union binding pocket(no: 3) in the query (biounit: 2al2.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 6MJF SAH 1.5544
2 2A2C ADP 1.6055
3 2A2C NG1 1.6055
4 2PCU ASP 1.63934
5 2HJR CIT 1.82927
6 5ZMY TAR 1.91083
7 4RPL FAD 2.00501
8 2PI8 NAG NAG NAG NAG NAG NAG 2.02899
9 2C42 PYR 2.06422
10 2C42 TPP 2.06422
11 2WET FAD 2.06422
12 1RP0 AHZ 2.11268
13 5K4W THR 2.18069
14 2Q0L FAD 2.2508
15 6C4A PYR 2.29358
16 1TMO 2MD 2.29358
17 3E4O SIN 2.29508
18 2DUR MAN MAN 2.37154
19 6G28 AR6 2.45232
20 1XS5 MET 2.48963
21 3FWN 6PG 2.52294
22 5NM7 GLY 2.63158
23 6BQ6 TER 2.71903
24 5K5Z ANP 2.86624
25 2AWN ADP 2.88714
26 4QMN DB8 2.90323
27 4QM7 GTP 2.92398
28 6GEW SAH 2.92683
29 6GEW SFG 2.92683
30 3QDK QDK 2.98165
31 5XGX DAS DLY 3.03797
32 4XFR CIT 3.0445
33 4GKY MAN 3.06513
34 1JJ7 ADP 3.07692
35 1V97 MTE 3.21101
36 2JJK R15 3.25444
37 1JGT APC 3.31384
38 1B0U ATP 3.43511
39 1U7Z PMT 3.44037
40 3ITJ CIT 3.5503
41 5A5W GUO 3.55731
42 1RJ9 GCP 3.66667
43 5WJ6 B4A 3.66972
44 1SVM ATP 3.71353
45 1PVN MZP 3.7234
46 4YAG NAI 3.80623
47 2E0N SAH 3.861
48 1I8T FAD 4.08719
49 3GD4 FAD 4.10959
50 2XTZ GSP 4.23729
51 2Q3M MLA 4.29448
52 6FQZ 6PG 4.3578
53 1RRC ADP 4.65116
54 2PT9 S4M 4.6729
55 4I4B NAD 4.6729
56 1Q9I TEO 4.81651
57 1Q9I FAD 4.81651
58 2PZE ATP 5.04587
59 4WZ6 ATP 5.04587
60 2I7C AAT 5.30035
61 6AM8 PLT 5.30303
62 3CX8 GSP 5.41872
63 5Y1G NAD 5.4878
64 1R27 MGD 5.50459
65 1CX4 CMP 5.57377
66 4JNA FAD 5.58824
67 4UIB GWX 5.86319
68 5FII PHE 5.88235
69 4GV8 DUP 5.91716
70 5KJZ PCG 6
71 2W5P CL8 6.04027
72 4U00 ADP 6.14754
73 1EU1 MGD 6.19266
74 4QYS PLP SEP 6.19266
75 4OFG PCG 6.25
76 2CJF RP4 6.36943
77 3ORF NAD 6.3745
78 5ZI9 FLC 6.42202
79 3A4M ADP 6.53846
80 5T9E NAP 6.64207
81 2OFW ADX 6.73077
82 4L9Z COA 6.78466
83 4L9Z OXL 6.78466
84 1YQT ADP 6.88073
85 3WGT FAD 6.88073
86 3R7F CP 6.88073
87 5YV5 ADP 6.88073
88 2J5V PCA 7.35695
89 2Z48 NGA 7.63889
90 4ITM ATP 7.93651
91 2OG2 MLI 8.07799
92 4OUE IPT 8.25688
93 1G6H ADP 8.94942
94 1JQ3 AAT 9.12162
95 2F1K NAP 9.319
96 4WZA ACP 9.42029
97 4WZA ADP 9.42029
98 5U5G 7VD 9.49153
99 3B9Q MLI 9.60265
100 4PPF FLC 9.71429
101 2PV7 NAD 10.0671
102 1C0I FAD 10.1928
103 1C0I BE2 10.1928
104 2D2F ADP 10.4
105 2ZE7 AMP 11.0092
106 1J0D 5PA 11.1437
107 4X8O AP5 11.6822
108 2CBZ ATP 11.8143
109 5L3R GCP 12.2924
110 1ZUI SKM 13.0952
111 1GXU 2HP 13.1868
112 4AUT FAD 13.5321
113 1N62 MCN 15.6627
114 5JAX 6J7 17.037
115 2CK3 ADP 23.2877
116 4LOO SB4 27.5862
Pocket No.: 4; Query (leader) PDB : 2AL2; Ligand: PEP; Similar sites found with APoc: 95
This union binding pocket(no: 4) in the query (biounit: 2al2.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1O68 KIV 1.45455
2 1W31 SHO 1.75439
3 2BP1 NDP 1.94444
4 5JDA AMP 1.94986
5 1O5R FR9 2.24719
6 2BW7 ECS 2.28311
7 2BW7 APC 2.28311
8 5HJQ I3P 2.39362
9 3T4L ZEA 2.59259
10 4GCZ FMN 2.5974
11 4NES UDP 2.6738
12 1M5W DXP 2.88066
13 1JXZ BCA 2.97398
14 3U2U UDP 3.04183
15 1KNM LAT 3.07692
16 4B0T ADP 3.21101
17 5JKG 6LF 3.21543
18 1Q6O LG6 3.24074
19 5C79 PBU 3.33333
20 3C3N FMN 3.52564
21 3GLC R5P 3.72881
22 1SL6 GAL NDG FUC 3.80435
23 2BQP GLC 3.84615
24 4H8N NDP 3.87097
25 2PWY SAH 3.87597
26 3H22 B53 4.0404
27 1JJE BYS 4.05405
28 3NBC LAT 4.05405
29 3VPD ANP 4.12844
30 2C91 NAP 4.14201
31 5IDB BMA 4.22535
32 5XK9 GST 4.31034
33 3SRV S19 4.33213
34 2ZRU FMN 4.34783
35 2IV2 2MD 4.3578
36 2QV6 GTP 4.47761
37 2HZY DHJ 4.58716
38 3UXL CFI 4.69974
39 5TVM PUT 4.70588
40 3RLF ANP 4.73684
41 1M1B SPV 4.74576
42 4ZLU ADP 4.81651
43 4ZLU 4PW 4.81651
44 6CCU PRO HIS ARG VAL 4.83871
45 3T0W DIW 4.87805
46 4DO1 ANN 4.87805
47 2WSI FAD 4.90196
48 4USF 6UI 4.93421
49 6GIN IR2 4.98339
50 4OUJ LBT 5.21173
51 2PR5 FMN 5.30303
52 6AMI TRP 5.30303
53 6AZQ C5J 5.34351
54 2FR6 URI 5.47945
55 2FR6 CTN 5.47945
56 1N9L FMN 5.50459
57 3A9Y CYS 5.55556
58 5XFV FMN 5.68862
59 1LQA NDP 5.78035
60 2I8T GDD 5.98802
61 2CUL FAD 6.03448
62 3DG6 MUC 6.26703
63 4G9N NGA 6.29371
64 1EYE PMM 6.42857
65 1CS4 101 6.60377
66 1CS4 FOK 6.60377
67 5BO9 SIA GAL NGS 6.65138
68 3VPB ADP 7.14286
69 3GZ8 APR 7.40741
70 1QPR PPC 7.74648
71 5UY8 AMZ 8.02752
72 4WUP 3UF 8.07692
73 1UPR 4IP 8.13008
74 6CLV 6MB 8.7156
75 4M5P FMN 8.84521
76 4R38 RBF 9.28571
77 1QFT HSM 9.71429
78 1UNQ 4IP 10.4
79 2JAJ D20 11.4187
80 2GAG FOA 11.4286
81 4JZX 476 11.8785
82 4JZB P2H 11.8785
83 3EAU NDP 11.9266
84 3EAU PDN 11.9266
85 5ECP JAA 12.1076
86 5ECP ATP 12.1076
87 5ECP MET 12.1076
88 5H5O PCG 12.4031
89 1XTT U5P 12.5
90 3AD8 PYC 13.1313
91 3AD8 FAD 13.1313
92 3T50 FMN 16.4062
93 1GVE NAP 16.5138
94 3R1Z ALA DGL 24.8021
95 4LO2 GAL BGC 27.2109
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