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Receptor
PDB id Resolution Class Description Source Keywords
5L13 2.4 Å EC: 1.2.1.3 STRUCTURE OF ALDH2 IN COMPLEX WITH 2P3 HOMO SAPIENS OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: INHIBITION OF THE ALDEHYDE DEHYDROGENASE 1/2 FAMILY PSORALEN AND COUMARIN DERIVATIVES. J. MED. CHEM. V. 60 2439 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAI D:603;
H:602;
D:604;
G:605;
E:604;
B:604;
G:606;
C:602;
E:605;
F:604;
D:605;
A:604;
D:606;
E:606;
A:605;
G:607;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.07 C H5 N3 C(=N)...
NA B:601;
G:601;
H:601;
A:601;
F:601;
D:601;
E:601;
C:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
EDO B:602;
E:602;
G:602;
F:602;
D:602;
G:603;
A:603;
F:603;
A:602;
B:603;
E:603;
G:604;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
6ZE B:605;
F:605;
C:603;
G:608;
E:607;
H:603;
A:606;
D:607;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 19 nM
270.323 C17 H18 O3 CCCC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L13 2.4 Å EC: 1.2.1.3 STRUCTURE OF ALDH2 IN COMPLEX WITH 2P3 HOMO SAPIENS OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: INHIBITION OF THE ALDEHYDE DEHYDROGENASE 1/2 FAMILY PSORALEN AND COUMARIN DERIVATIVES. J. MED. CHEM. V. 60 2439 2017
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
4 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
5 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
6 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
9 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
12 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
14 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
15 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
16 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
17 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
18 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
21 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
24 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
26 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
27 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
32 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
22 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
24 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
33 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
34 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
35 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
38 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
41 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
43 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
44 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
48 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
53 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
56 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
63 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6ZE; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6ZE 1 1
2 6ZY 0.625 0.610169
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 167
This union binding pocket(no: 1) in the query (biounit: 5l13.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5KK4 44E None
3 1G51 AMP 1.16054
4 1XA4 COA 1.373
5 1KAE NAD 1.38249
6 4R84 CSF 1.39165
7 2VL1 GLY GLY 1.47679
8 4CNK MEU 1.53453
9 5C9P FUC 1.5748
10 3Q60 ATP 1.61725
11 5KJW 53C 1.63934
12 1SES AMP 1.66271
13 6BSW UDP 1.77515
14 3V1Y NAD 1.78042
15 4Z0H NAD 1.79641
16 5W7K SAH 1.92308
17 2VDV SAM 2.03252
18 1I0B PEL 2.10843
19 4RF7 ARG 2.12766
20 3A27 SAM 2.20588
21 4R29 SAM 2.23214
22 5IFK HPA 2.24359
23 4GLW NMN 2.29508
24 5WXU FLC 2.29645
25 3NKS ACJ 2.30608
26 5L2R MLA 2.32108
27 4GN8 ASO 2.34114
28 4WCX MET 2.5
29 2XVM SAH 2.51256
30 3RK0 AMP 2.53165
31 5F6U 5VK 2.54777
32 4YGF AZM 2.5641
33 2IV3 UDP 2.63158
34 1R18 SAH 2.64317
35 3RKR NAP 2.67176
36 5G6U TRP 2.68199
37 2D3Y DU 2.73973
38 3BP1 GUN 2.75862
39 3BRE C2E 2.7933
40 1ZGA SAH 2.80112
41 2ZWI C5P 2.94906
42 3QSB 743 3.00546
43 5EXK MET 3.02115
44 3ACL 3F1 3.04054
45 5YJS SAL 3.07692
46 2VAR AMP 3.19489
47 1SQF SAM 3.2634
48 1NXJ TLA 3.27869
49 1LCF OXL 3.2882
50 5YLF BGC 3.29341
51 2IVD ACJ 3.34728
52 5IFS ADP 3.37553
53 3HGM ATP 3.40136
54 2UYQ SAM 3.54839
55 3OKP GDD 3.5533
56 3CF6 SP1 3.59281
57 3I53 SAH 3.61446
58 1JGS SAL 3.62319
59 1EU1 GLC 3.67505
60 4D1J DGJ 3.86847
61 2AF6 BRU 3.87597
62 1HYH NAD 3.8835
63 1VMK GUN 3.97112
64 2RDE C2E 3.98406
65 2IU8 PLM 4.01069
66 4V3C C 4.12371
67 3UYW TAU 4.20561
68 3ERR AMP 4.25532
69 1WDK NAD 4.35897
70 5KVS NAP 4.41558
71 3H8V ATP 4.45205
72 3LL9 ADP 4.46097
73 1I7M CG 4.47761
74 5FUI APY 4.54545
75 3CBC DBS 4.54545
76 1LSH PLD 4.70219
77 5Y8L NAD 4.74576
78 1OFL NGK GCD 4.7817
79 1T3D CYS 4.84429
80 4DOO DAO 4.87805
81 1RJW ETF 5.01475
82 2Z49 AMG 5.09259
83 1VHW ADN 5.13834
84 5JGL SAM 5.19031
85 2XG5 EC5 5.20231
86 2XG5 EC2 5.20231
87 1KYZ SAH 5.20548
88 3JQA DX4 5.20833
89 4COQ SAN 5.26316
90 4NEC SAH 5.30303
91 1FLJ GSH 5.38462
92 5KHD C2E 5.49451
93 2NXE SAM 5.51181
94 1V84 GAL NDG 5.5336
95 1NE7 AGP 5.53633
96 3KYF 5GP 5GP 5.62771
97 3OQJ 3CX 5.83658
98 5OCM NAP 5.84192
99 5DYO FLU 5.9633
100 1KYQ NAD 6.20438
101 1PDZ PGA 6.2212
102 2CVZ NDP 6.22837
103 4DVR 0LY 6.39269
104 1T36 U 6.5445
105 1UYY BGC BGC 6.87023
106 1NW4 IMH 6.88406
107 3LST SAH 6.89655
108 5JE8 NAD 6.95364
109 1ZQ9 SAM 7.01754
110 5ZDN CDP 7.109
111 2CE7 ADP 7.14286
112 3FGC FMN 7.22892
113 6GNO XDI 7.40741
114 5OCG 9R5 7.40741
115 3H0L ADP 7.44681
116 1QO0 BMD 7.65306
117 4R38 RBF 7.85714
118 2XOC ADP 8.04598
119 1UPR 4IP 8.13008
120 3CM2 X23 8.46154
121 1IK4 PGH 8.55263
122 2VT3 ATP 8.83721
123 5VIT MLI 9.09091
124 6MJ7 ARG 9.09091
125 4DMG SAM 9.16031
126 5G48 1FL 9.35829
127 4G86 BNT 9.50704
128 2UWN SCR 9.62567
129 2RI1 GLP 9.78723
130 3QPB R1P 9.92908
131 5C83 4YN 10
132 3Q87 SAM 10
133 1W8S FBP 10.2662
134 4RJD TFP 10.6061
135 5Y4R C2E 10.8844
136 4OBW SAM 10.8949
137 6FA4 D1W 10.9827
138 2WLG SOP 11.1628
139 2G30 ALA ALA PHE 11.2403
140 4RT1 C2E 11.6071
141 3F5A SIA GAL NAG 11.7886
142 3EFS BTN 12.4464
143 3G89 SAM 13.253
144 3K56 IS3 16.9173
145 2QQC AG2 16.9811
146 3IWD M2T 17.6471
147 1EZ0 NAP 18.6275
148 4JX1 CAM 19.469
149 3KIF GDL 19.8113
150 5JFL NAD 21.6634
151 4NS3 NAD 35.5899
152 5DBV COA 36.6292
153 3HAZ NAD 38.6847
154 4LH0 GLV 39.6518
155 5KF6 NAD 41.5861
156 4OE4 NAD 41.9729
157 3SZB I1E 42.2175
158 4ZUL UN1 43.6647
159 5U0L 8YP 44.2656
160 5UCD NAP 44.639
161 3EFV NAD 45.0216
162 1KY8 NAP 46.1078
163 4YWV SSN 46.6667
164 3VZ3 SSN 48.14
165 3VZ3 NAP 48.14
166 2BJK NAD 48.6434
167 2QE0 NAP 49.4737
Pocket No.: 2; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 5l13.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 4KVL PLM 1.35397
2 3CV2 OXL 1.74081
3 2WW2 SWA 1.93424
4 6F92 MVL 1.93424
5 1YFS ALA 2.15054
6 5UAV NDP 2.17391
7 5UAV TFB 2.17391
8 1F9V ADP 2.30548
9 3JQQ A2P 2.32108
10 4MLO PAM 2.53623
11 5JJU AMP 2.64706
12 3CYI ATP 2.72727
13 4WOE ADP 2.90135
14 4P6C RES 2.94118
15 3MTW M3R 2.97767
16 1H0A I3P 3.16456
17 1QPR PPC 3.16901
18 4G7A AZM 3.22581
19 4RDH AMP 3.47222
20 4D79 ATP 3.62319
21 1POT SPD 3.69231
22 5ZI9 FLC 3.84615
23 2F2H XTG 4.0619
24 4AIA ADK 4.25532
25 3LKF PC 4.34783
26 1WLE SRP 4.39122
27 4GDX GLU 4.61538
28 2H8Z 8CM 4.73538
29 1VAY AZA 4.87805
30 5A65 TPP 5.06912
31 1EBF NAD 5.30726
32 1VBO MAN MAN MAN 5.36913
33 4X1B MLI 5.41586
34 4CU1 H4B 5.41761
35 2DUR MAN MAN 5.92885
36 2OO0 XAP 7.00637
37 4BG4 ARG 7.30337
38 1SQL GUN 7.53425
39 4I9A NCN 7.63889
40 5LE1 6UW 7.89474
41 1RYO OXL 8.56269
42 5TVF CGQ 9.47368
43 3R7F CP 9.86842
44 4XCP PLM 10.5882
45 4X5S AZM 10.7759
46 6GVZ CHO 10.8197
47 3NZ1 3NY 11.1111
48 3KO0 TFP 12.8713
49 1FNZ A2G 15.1899
50 4JX1 CAH 19.469
51 1V3S ATP 19.8276
52 3HY2 ATP 20.3883
53 5KEW 6SB 26.5957
Pocket No.: 3; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 5l13.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 1W96 S1A 1.74081
2 1XF1 CIT 2.32108
3 2QS8 MET 3.11005
4 1PFK ADP 3.125
5 2B6N ALA PRO THR 3.23741
6 5AHO TLA 3.57143
7 4A9C B5F 3.79747
8 3DZ6 M8E 4.47761
9 5J75 6GQ 4.54545
10 5C79 PBU 4.66667
11 3W6X HZP 4.80349
12 3JQG AX6 5.20833
13 1V84 GAL NAG 5.5336
14 4N82 FMN 5.61798
15 3ESS 18N 5.65217
16 3QXV MTX 7.14286
17 4XMF HSM 7.6087
18 3U4L ATP 8
19 2IMG MLT 9.93377
20 3LGS SAH 10.4869
Pocket No.: 4; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 5l13.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2E22 MAN 1.93424
2 2WPB ZZI 2.30263
3 6HQD SRT 2.61905
4 3GLC R5P 2.71186
5 4WNP 3RJ 2.78746
6 5FAW CHT 2.90135
7 4R2M ANP 3.16456
8 5FBK TCR 3.48162
9 4O9S 2RY 3.72093
10 2BHW NEX 3.87931
11 6MDE MEV 3.9604
12 3BMO AX4 5.20833
13 3RZ3 U94 6.01093
14 5N53 8NB 6.15385
15 1UP7 NAD 7.43405
16 3TKY SAH 10.0543
17 3LGS ADE 10.4869
18 4M1U A2G MBG 14.2857
19 2FYU FDN 20.5128
Pocket No.: 5; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 15
This union binding pocket(no: 5) in the query (biounit: 5l13.bio2) has 48 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 5UMY TNN 1.42857
3 2Z4T C5P 2.14008
4 1WU6 XYP XYP 2.52525
5 5DEX GLY 2.82686
6 3MWL 8OX 2.89855
7 5WKC F50 2.90135
8 5MRH Q9Z 3.2882
9 4WES HCA 3.2882
10 1DLL LAT 4.98866
11 2Z48 NGA 5.09259
12 5FYR INS 5.7047
13 4DD8 BAT 11.5385
14 5N2F 8HW 20.9677
15 4XOE KGM 42.8571
Pocket No.: 6; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 20
This union binding pocket(no: 6) in the query (biounit: 5l13.bio2) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 3A4T SFG 1.82482
2 1V2F HCI 1.83727
3 3OZV ECN 2.23325
4 2D2I NAP 2.36842
5 5OM2 DXT 2.71003
6 3GU3 SAH 2.8169
7 1JG3 ADN 3.40426
8 2BIF BOG 3.62473
9 4V3I ASP LEU THR ARG PRO 3.89105
10 3WCS MAN NAG GAL 3.93701
11 5W7M SAH 5.76923
12 1I7L ATP 5.82524
13 3BJU ATP 7.15667
14 3VKX T3 7.27969
15 4QAR ADE 7.46269
16 1XDS SAM 8.28877
17 3QPB URA 9.92908
18 1SZ2 BGC 10.241
19 1Z0N BCD 11.4583
20 1OW4 2AN 13.1783
Pocket No.: 7; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 16
This union binding pocket(no: 7) in the query (biounit: 5l13.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 2YLN CYS 1.76678
2 1C9H RAP 1.86916
3 4YJ1 ADP 1.93424
4 3LL5 ATP 2.40964
5 2NU8 COA 3.125
6 5LD5 NAD 3.35196
7 5HZX 2GE 3.40909
8 4RYV ZEA 3.87097
9 5F7J ADE 4.0625
10 4XJ7 ADE 4.49438
11 1HSL HIS 6.30252
12 1GYY FHC 6.57895
13 1U29 I3P 7.75194
14 1C5C TK4 8.41121
15 1KZL CRM 9.13461
16 2XKO AKG 10.1124
Pocket No.: 8; Query (leader) PDB : 5L13; Ligand: 6ZE; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 5l13.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 1XXR MAN 3.10559
2 4JGP PYR 3.22581
3 5W0N UPU 5.7072
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