-->
Receptor
PDB id Resolution Class Description Source Keywords
2UUU 1.95 Å EC: 2.5.1.26 ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE IN P212121 DICTYOSTELIUM DISCOIDEUM TRANSFERASE LAVOPROTEIN LIPID SYNTHESIS PEROXISOMAL DISOR
Ref.: THE CRUCIAL STEP IN ETHER PHOSPHOLIPID BIOSYNTHESIS STRUCTURAL BASIS OF A NONCANONICAL REACTION ASSOCIA A PEROXISOMAL DISORDER. STRUCTURE V. 15 683 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1587;
B:1587;
C:1586;
D:1586;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
PL3 A:1588;
B:1588;
C:1587;
D:1587;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
242.441 C16 H34 O CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UUU 1.95 Å EC: 2.5.1.26 ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE IN P212121 DICTYOSTELIUM DISCOIDEUM TRANSFERASE LAVOPROTEIN LIPID SYNTHESIS PEROXISOMAL DISOR
Ref.: THE CRUCIAL STEP IN ETHER PHOSPHOLIPID BIOSYNTHESIS STRUCTURAL BASIS OF A NONCANONICAL REACTION ASSOCIA A PEROXISOMAL DISORDER. STRUCTURE V. 15 683 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2UUU - PL3 C16 H34 O CCCCCCCCCC....
2 2UUV - PL3 C16 H34 O CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2UUU - PL3 C16 H34 O CCCCCCCCCC....
2 2UUV - PL3 C16 H34 O CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2UUU - PL3 C16 H34 O CCCCCCCCCC....
2 2UUV - PL3 C16 H34 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: PL3; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 O8N 1 1
2 1DO 1 1
3 F09 1 1
4 OC9 1 1
5 DE1 1 1
6 PL3 1 1
7 HE4 0.944444 1
8 HE2 0.789474 0.952381
9 PE9 0.631579 0.904762
10 ODI 0.611111 0.666667
11 HEZ 0.555556 0.666667
12 1BO 0.526316 0.761905
13 B8M 0.5 0.913043
14 BOM 0.441176 0.826087
15 BDD 0.44 0.666667
16 JAO 0.419355 0.863636
17 X90 0.413793 0.75
18 F23 0.413793 0.75
19 DKA 0.413793 0.75
20 PLM 0.413793 0.75
21 TDA 0.413793 0.75
22 11A 0.413793 0.75
23 STE 0.413793 0.75
24 12H 0.413793 0.615385
25 MYR 0.413793 0.75
26 F15 0.413793 0.75
27 EW8 0.413793 0.75
28 DAO 0.413793 0.75
29 DCR 0.413793 0.75
30 KNA 0.413793 0.75
31 C8E 0.4 0.714286
32 BHL BHL 0.4 0.666667
33 C10 0.4 0.714286
34 1EX 0.4 0.782609
35 N8E 0.4 0.714286
36 CE1 0.4 0.714286
37 BHL 0.4 0.666667
38 32M 0.4 0.714286
39 CE9 0.4 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UUU; Ligand: FAD; Similar sites found with APoc: 151
This union binding pocket(no: 1) in the query (biounit: 2uuu.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 1F0X FAD 1.40105
2 1J1R ADE 1.53257
3 4O6M C5P 1.6129
4 1SJD NPG 1.63043
5 1GJW GLC 1.71233
6 5VEQ PMP 1.94647
7 2BTM PGA 1.98413
8 1F9V ADP 2.01729
9 1F74 NAY 2.04778
10 4YSW NAI 2.12928
11 4YSW FAD 2.12928
12 2JK0 ASP 2.15385
13 2JBH 5GP 2.22222
14 5OYH T99 2.22603
15 1E5F PLP 2.22772
16 5AHS FAD 2.24439
17 5FPE 3TR 2.32558
18 6G3R ADP 2.36842
19 4XPQ FUL 2.39726
20 3HQP OXL 2.40481
21 1UTJ ABN 2.47934
22 4P5E N6P 2.63158
23 1K3A ACP 2.67559
24 5F1V 3VN 2.6936
25 1E4I NFG 2.90828
26 1OFL NGK GCD 2.9106
27 5CX6 CDP 2.91096
28 2GQS C2R 2.95359
29 2OG2 MLI 3.06407
30 6CB2 OLC 3.07167
31 5TP0 BRN 3.125
32 1A0J BEN 3.13901
33 6FMC DUE 3.16456
34 4H0I MMA 3.18725
35 1V97 FAD 3.25342
36 4P86 5GP 3.27869
37 4P83 U5P 3.2967
38 6CS8 F9Y 3.30033
39 3AB4 THR 3.37079
40 5GVR LMR 3.4188
41 5Y0T TAT 3.52941
42 3SCH TB6 3.53535
43 2PS1 ORO 3.53982
44 2PS1 PRP 3.53982
45 4ZOH FAD 3.57143
46 2HHP FLC 3.58491
47 4QYS PLR 3.59589
48 4GLW NMN 3.60656
49 2OEM 1AE 3.63196
50 3B9Q MLI 3.64238
51 1XTT U5P 3.7037
52 3TAO PGH 3.74532
53 1OFU GDP 3.75
54 5KZD RCJ 3.75427
55 4TVD BGC 3.76712
56 5C9P FUC 3.93701
57 3EJ0 11X 4.08163
58 5DNC ASN 4.10959
59 2AIQ BEN 4.329
60 2BDG PBZ 4.4843
61 3UWB BB2 4.54545
62 1WOG 16D 4.59016
63 2XG5 EC5 4.62428
64 2XG5 EC2 4.62428
65 2BMR 3NT 4.63918
66 1QB7 ADE 4.66102
67 4BT5 23B 4.66926
68 1L7N ALF 4.73934
69 5G5G FAD 4.80349
70 5Y6Q FAD 4.93827
71 2Z77 NCA 5.03597
72 5LKC FUC GLA A2G 5.19481
73 1WHT BZS 5.22876
74 6BYF CIT 5.29412
75 1RJW ETF 5.30973
76 3BM1 FMN 5.46448
77 2FWP ICR 5.46448
78 1GXU 2HP 5.49451
79 5Y0N ATP 5.51724
80 1FFU FAD 5.52147
81 5Y0Q APC 5.52995
82 3B6C SDN 5.55556
83 5C8W PCG 5.59441
84 1SW0 PGA 5.64516
85 1XVB 3BR 5.65553
86 2RIF AMP 5.67376
87 4NAE 1GP 5.77778
88 5LWY OLA 5.88235
89 2F6U CIT 5.98291
90 4JB1 FAD 6.47059
91 4JB1 NAP 6.47059
92 4R8L ASP 6.49351
93 3QX9 ATP 6.52174
94 6GSG RCO 6.52742
95 1FGX U5P 6.59722
96 3KP6 SAL 6.62252
97 6BFN DL1 6.72515
98 3GD8 GOL 6.72646
99 5CGE 51F 6.85921
100 2PRG BRL 7.01107
101 5TVF CGQ 7.05882
102 5TDF 7A3 7.19258
103 2HJ9 AI2 7.23982
104 2D0O ADP 7.53425
105 1RTF BEN 7.53968
106 1MID LAP 7.69231
107 2WW4 ADP 7.77385
108 4K37 SAM 7.83784
109 4L50 D8X 7.89474
110 2MBR FAD 7.94118
111 2MBR EPU 7.94118
112 4FE2 AIR 8.23529
113 4XH0 ADP 8.68486
114 3M6P BB2 8.80829
115 3UEC ALA ARG TPO LYS 8.90411
116 4WNP 3RJ 9.40767
117 1U9L ASN ARG PRO ILE LEU SER LEU 10
118 3P48 DUP 10.2041
119 2I0K FAD 10.5169
120 4CTA ATP 10.6599
121 4P8K 38C 11.0417
122 4P8K FAD 11.0417
123 2GQT FAD 11.194
124 4AUT FAD 11.3248
125 3B6O TMP 12.1457
126 2HIM ASP 12.2905
127 1FIQ FAD 12.3288
128 6EK3 OUL 13.1222
129 1HSK FAD 13.1902
130 1E8G FCR 13.3929
131 1E8G FAD 13.3929
132 5H20 GLC 13.5135
133 5L6G XYP 14.0845
134 2Q4W FAD 14.5038
135 1T3Q FAD 14.881
136 1RM6 FAD 14.9068
137 3DZ6 M8E 14.9254
138 1KDO C 14.978
139 3W8X FTK 15.1709
140 3W8X FAD 15.1709
141 3OID TCL 16.2791
142 3NRZ FAD 16.4634
143 3LL5 IP8 16.8675
144 1N62 FAD 18.75
145 4V1T ADP 20.3125
146 2VMG MBG 20.3822
147 5U61 7WG 22.1453
148 1LNX URI 22.2222
149 3P13 RIP 27.0833
150 3HRD FAD 28.0405
151 1QAW TRP 33.7838
Pocket No.: 2; Query (leader) PDB : 2UUU; Ligand: FAD; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 2uuu.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1UO5 PIH None
3 1YBH P22 1.86441
4 2VVM PRO 2.0202
5 2PFC PLM 2.18579
6 1PIG GLC GLC 2.21774
7 4OKD GLC GLC GLC 2.39726
8 5E70 RCD 2.39726
9 3A16 PXO 2.41287
10 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
11 4XNV BUR 2.85036
12 2BCG GER 2.86976
13 1YYE 196 2.98507
14 1D2E GDP 3.27456
15 4XJC TTP 3.38983
16 5NM7 GLY 3.7594
17 1ZGS XMM 3.80313
18 6DWI HD4 3.86266
19 4RW3 TDA 3.97351
20 3U7S 017 4.0404
21 1B4B ARG 4.22535
22 3W54 RNB 4.25532
23 2BHW NEX 4.31034
24 5EYW PGA 4.41767
25 4V3I ASP LEU THR ARG PRO 4.66926
26 4HVK PMP 4.71204
27 3AJH BL3 4.83871
28 5I8F ML1 4.84848
29 3T64 DU3 4.97238
30 5DXE EST 5.36398
31 5WGQ EST 5.36398
32 5WGD EST 5.36398
33 4OOP DUP 5.42169
34 5HYR EST 5.42636
35 4MGD 27N 5.4902
36 4TV1 36M 5.57769
37 3UUD EST 5.57769
38 5ICK FEZ 5.67686
39 4PVR ASP 5.80645
40 4CCK OGA 5.99572
41 2OL1 UMP 6.12245
42 4QM7 GTP 6.43275
43 3R5W F42 7.14286
44 5TDF ADP 7.19258
45 5VKM GAL SIA 7.40741
46 3WFD AXO 7.53425
47 1Q7L GLY 7.57576
48 5LDQ NAP 7.9096
49 5IM3 DTP 8.04795
50 1G41 ADP 8.33333
51 3TUR 6CL 9.7561
52 5ZBL AMP 11.33
53 4WGF HX2 11.7073
54 1WAP TRP 12
55 2HIM ASN 12.2905
56 4N82 FMN 12.3596
57 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 12.6582
58 4IP7 FBP 13.8122
59 3ZZQ TRP 13.8462
60 4CS9 AMP 14.8148
61 4YDX TCE 14.9254
62 4RJD TFP 15.1515
63 4BQS K2Q 19.3182
64 1WUW TSU 22.2222
65 5W7B MYR 23.4043
66 1NME 159 23.913
67 5ZCO CHD 30.6122
68 3H0L ADP 30.8511
69 4OGQ 7PH 45.1613
Pocket No.: 3; Query (leader) PDB : 2UUU; Ligand: PL3; Similar sites found with APoc: 172
This union binding pocket(no: 3) in the query (biounit: 2uuu.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1UO5 PIH None
3 1F0X FAD 1.40105
4 4O6M C5P 1.6129
5 1GJW GLC 1.71233
6 1YBH P22 1.86441
7 1F9V ADP 2.01729
8 2VVM PRO 2.0202
9 1F74 NAY 2.04778
10 4YSW NAI 2.12928
11 4YSW FAD 2.12928
12 2JK0 ASP 2.15385
13 2PFC PLM 2.18579
14 1PIG GLC GLC 2.21774
15 5AHS FAD 2.24439
16 5FPE 3TR 2.32558
17 6G3R ADP 2.36842
18 4OKD GLC GLC GLC 2.39726
19 5E70 RCD 2.39726
20 3HQP OXL 2.40481
21 3A16 PXO 2.41287
22 4P5E N6P 2.63158
23 5F1V 3VN 2.6936
24 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
25 4XNV BUR 2.85036
26 2BCG GER 2.86976
27 1OFL NGK GCD 2.9106
28 5CX6 CDP 2.91096
29 2GQS C2R 2.95359
30 1YYE 196 2.98507
31 2OG2 MLI 3.06407
32 6CB2 OLC 3.07167
33 1A0J BEN 3.13901
34 6FMC DUE 3.16456
35 4H0I MMA 3.18725
36 1V97 FAD 3.25342
37 1D2E GDP 3.27456
38 4P86 5GP 3.27869
39 4P83 U5P 3.2967
40 3AB4 THR 3.37079
41 4XJC TTP 3.38983
42 5GVR LMR 3.4188
43 5Y0T TAT 3.52941
44 3SCH TB6 3.53535
45 2PS1 ORO 3.53982
46 2PS1 PRP 3.53982
47 4ZOH FAD 3.57143
48 2HHP FLC 3.58491
49 4QYS PLR 3.59589
50 2OEM 1AE 3.63196
51 3B9Q MLI 3.64238
52 1XTT U5P 3.7037
53 3TAO PGH 3.74532
54 5NM7 GLY 3.7594
55 4TVD BGC 3.76712
56 1ZGS XMM 3.80313
57 6DWI HD4 3.86266
58 5C9P FUC 3.93701
59 4RW3 TDA 3.97351
60 3U7S 017 4.0404
61 5DNC ASN 4.10959
62 1B4B ARG 4.22535
63 3W54 RNB 4.25532
64 2BHW NEX 4.31034
65 2AIQ BEN 4.329
66 5EYW PGA 4.41767
67 1WOG 16D 4.59016
68 1QB7 ADE 4.66102
69 4V3I ASP LEU THR ARG PRO 4.66926
70 4HVK PMP 4.71204
71 1L7N ALF 4.73934
72 5G5G FAD 4.80349
73 3AJH BL3 4.83871
74 5I8F ML1 4.84848
75 5Y6Q FAD 4.93827
76 3T64 DU3 4.97238
77 5LKC FUC GLA A2G 5.19481
78 5DXE EST 5.36398
79 5WGQ EST 5.36398
80 5WGD EST 5.36398
81 4OOP DUP 5.42169
82 5HYR EST 5.42636
83 3BM1 FMN 5.46448
84 2FWP ICR 5.46448
85 4MGD 27N 5.4902
86 1GXU 2HP 5.49451
87 5Y0N ATP 5.51724
88 1FFU FAD 5.52147
89 3B6C SDN 5.55556
90 4TV1 36M 5.57769
91 3UUD EST 5.57769
92 5C8W PCG 5.59441
93 1SW0 PGA 5.64516
94 2RIF AMP 5.67376
95 5ICK FEZ 5.67686
96 4NAE 1GP 5.77778
97 4PVR ASP 5.80645
98 2F6U CIT 5.98291
99 4CCK OGA 5.99572
100 2OL1 UMP 6.12245
101 4QM7 GTP 6.43275
102 4JB1 NAP 6.47059
103 4JB1 FAD 6.47059
104 6GSG RCO 6.52742
105 1FGX U5P 6.59722
106 3KP6 SAL 6.62252
107 6BFN DL1 6.72515
108 3GD8 GOL 6.72646
109 5CGE 51F 6.85921
110 2PRG BRL 7.01107
111 3R5W F42 7.14286
112 5TDF ADP 7.19258
113 2HJ9 AI2 7.23982
114 5VKM GAL SIA 7.40741
115 3WFD AXO 7.53425
116 2D0O ADP 7.53425
117 1Q7L GLY 7.57576
118 1MID LAP 7.69231
119 2WW4 ADP 7.77385
120 5LDQ NAP 7.9096
121 2MBR FAD 7.94118
122 2MBR EPU 7.94118
123 5IM3 DTP 8.04795
124 1G41 ADP 8.33333
125 4WNP 3RJ 9.40767
126 3TUR 6CL 9.7561
127 3P48 DUP 10.2041
128 2I0K FAD 10.5169
129 4CTA ATP 10.6599
130 4P8K FAD 11.0417
131 4P8K 38C 11.0417
132 2GQT FAD 11.194
133 4AUT FAD 11.3248
134 5ZBL AMP 11.33
135 4WGF HX2 11.7073
136 1WAP TRP 12
137 2HIM ASN 12.2905
138 2HIM ASP 12.2905
139 1FIQ FAD 12.3288
140 4N82 FMN 12.3596
141 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR 12.6582
142 6EK3 OUL 13.1222
143 1HSK FAD 13.1902
144 1E8G FCR 13.3929
145 1E8G FAD 13.3929
146 5H20 GLC 13.5135
147 4IP7 FBP 13.8122
148 3ZZQ TRP 13.8462
149 2Q4W FAD 14.5038
150 4CS9 AMP 14.8148
151 1T3Q FAD 14.881
152 1RM6 FAD 14.9068
153 4YDX TCE 14.9254
154 3DZ6 M8E 14.9254
155 1KDO C 14.978
156 4RJD TFP 15.1515
157 3W8X FTK 15.1709
158 3W8X FAD 15.1709
159 3NRZ FAD 16.4634
160 1N62 FAD 18.75
161 4BQS K2Q 19.3182
162 4V1T ADP 20.3125
163 1LNX URI 22.2222
164 1WUW TSU 22.2222
165 5W7B MYR 23.4043
166 1NME 159 23.913
167 3P13 RIP 27.0833
168 3HRD FAD 28.0405
169 5ZCO CHD 30.6122
170 3H0L ADP 30.8511
171 1QAW TRP 33.7838
172 4OGQ 7PH 45.1613
Pocket No.: 4; Query (leader) PDB : 2UUU; Ligand: PL3; Similar sites found with APoc: 44
This union binding pocket(no: 4) in the query (biounit: 2uuu.bio1) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 1J1R ADE 1.53257
2 1SJD NPG 1.63043
3 2BTM PGA 1.98413
4 2JBH 5GP 2.22222
5 1E5F PLP 2.22772
6 4XPQ FUL 2.39726
7 1UTJ ABN 2.47934
8 1K3A ACP 2.67559
9 1E4I NFG 2.90828
10 5TP0 BRN 3.125
11 6CS8 F9Y 3.30033
12 4GLW NMN 3.60656
13 5KZD RCJ 3.75427
14 3EJ0 11X 4.08163
15 6F4W FMC 4.29185
16 2BDG PBZ 4.4843
17 2EA1 GPG 4.4898
18 3UWB BB2 4.54545
19 2XG5 EC2 4.62428
20 2XG5 EC5 4.62428
21 2BMR 3NT 4.63918
22 4BT5 23B 4.66926
23 1WHT BZS 5.22876
24 3N8K D1X 5.23256
25 1RJW ETF 5.30973
26 5Y0Q APC 5.52995
27 1XVB 3BR 5.65553
28 4R8L ASP 6.49351
29 1O5O U5P 6.78733
30 5TVF CGQ 7.05882
31 5TDF 7A3 7.19258
32 1RTF BEN 7.53968
33 4K37 SAM 7.83784
34 4L50 D8X 7.89474
35 3M6P BB2 8.80829
36 3UEC ALA ARG TPO LYS 8.90411
37 1U9L ASN ARG PRO ILE LEU SER LEU 10
38 3B6O TMP 12.1457
39 5L6G XYP 14.0845
40 1I7M CG 14.9254
41 3OID TCL 16.2791
42 3LL5 IP8 16.8675
43 2VMG MBG 20.3822
44 5Z84 CHD 30.6122
Pocket No.: 5; Query (leader) PDB : 2UUU; Ligand: FAD; Similar sites found with APoc: 101
This union binding pocket(no: 5) in the query (biounit: 2uuu.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKL RIM None
2 5WC2 ADP 1.15741
3 5GS9 ARG 1.5411
4 4RLQ 3SK 1.54143
5 6F90 MVL 1.71233
6 1V47 ADX 1.7192
7 2F7A BEZ 1.72414
8 2JGV ADP 1.81818
9 4M8D 23J 1.90114
10 6DND PLP 1.94647
11 5KJW 53C 2.10773
12 5JH2 A2P 2.25806
13 2VCN ISZ 2.29885
14 1M2Z BOG 2.33463
15 1LFW AEP 2.34043
16 3S6X SIA GAL BGC 2.46154
17 4BGB ADP 2.46154
18 1U4J MAN 2.54237
19 4NEC SAH 2.65152
20 5XGX DAS DLY 2.78481
21 4L8F MTX 2.88462
22 5K8P 6R8 3.05882
23 1UPF URF 3.125
24 2BOY BHO 3.14961
25 4NSQ COA 3.15789
26 3E7S AT2 3.24826
27 3AB4 LYS 3.37079
28 1JG0 UMP 3.40909
29 1SJN DUP 3.42466
30 4IA6 EIC 3.42466
31 3VGL BGC 3.42679
32 6BR8 6OU 3.57143
33 3R9C ECL 3.58852
34 1GPM AMP 3.61905
35 3BRE C2E 3.63128
36 2D24 XYS XYS 3.66972
37 1VRP IOM 3.67454
38 1U6R IOM 3.68421
39 1KW6 BPY 3.76712
40 1EB9 HBA 3.81679
41 1VG0 GER 3.86473
42 3ACC 5GP 3.8674
43 5OKU 0L1 3.89222
44 2GCG DGY 3.93939
45 2X1L ADN 4.00763
46 2XZ9 PYR 4.01235
47 5TXR PLP 4.07332
48 1G5N UAP SGN IDS SGN 4.08805
49 5CPR 539 4.10448
50 2O7B HC4 4.41459
51 1UAY ADN 4.54545
52 1M0S CIT 4.56621
53 5Z49 RUB 4.60251
54 5VJN ADE 4.81283
55 3W9F I3P 5
56 1MZV AMP 5.10638
57 1QK3 5GP 5.15021
58 2PHR MAN MAN BMA MAN 5.15873
59 2PHF MAN MAN BMA MAN 5.15873
60 1QDS PGA 5.17928
61 2YPI PGA 5.26316
62 1IK4 PGH 5.26316
63 1P0Z FLC 5.34351
64 6MJ7 ARG 5.45455
65 1KC7 PPR 5.47945
66 1VKF CIT 5.85106
67 1DMH MCT 6.10932
68 4IRP UDP 6.3745
69 4ZM4 PLP 6.4877
70 5TVI O8N 6.52174
71 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 6.53595
72 4AU8 Z3R 6.75676
73 1HGX 5GP 7.10383
74 5LX9 OLB 7.16612
75 2WLT ASP 7.22892
76 3B8I OXL 7.31707
77 6BVE PGA 7.34694
78 4G6I RS3 8.09524
79 1RV0 NDG 8.125
80 4RYV ZEA 8.3871
81 4UYW H1S 8.61619
82 4YMZ 13P 8.76494
83 6E8I PTR 8.87574
84 1TD2 PXL 9.05923
85 2X2M X2M 9.23567
86 2G50 ALA 9.43396
87 2VVT DGL 9.65517
88 4A34 FUL 10.2041
89 1XXA ARG 10.2564
90 5Y5Q DUT 10.9195
91 2AK3 AMP 11.0619
92 5WHU SIA GAL GLC 11.4094
93 4V15 PLP 11.8734
94 4FRZ ADP 11.9171
95 6B74 BEN 12.3457
96 5DT6 GLU 12.3596
97 6BJO DUY 13.6
98 4DE3 DN8 14.8289
99 4DDY DN6 14.8289
100 5DQY BEZ 16.1905
101 3SAO DBH 21.875
Pocket No.: 6; Query (leader) PDB : 2UUU; Ligand: PL3; Similar sites found with APoc: 26
This union binding pocket(no: 6) in the query (biounit: 2uuu.bio2) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 2CE7 ADP 1.68067
2 1V47 ADX 1.7192
3 1KZL CRM 1.92308
4 5XGX DAS DLY 2.78481
5 5K8P 6R8 3.05882
6 1UPF URF 3.125
7 4NSQ COA 3.15789
8 1OFU GDP 3.75
9 1JPA ANP 3.84615
10 2XZ9 PYR 4.01235
11 1QK3 5GP 5.15021
12 2YPI PGA 5.26316
13 1P0Z FLC 5.34351
14 6MJ7 ARG 5.45455
15 6CEP OXM 5.98802
16 2XIG CIT 6
17 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 6.53595
18 4UYW H1S 8.61619
19 2VVT DGL 9.65517
20 2J73 GLC GLC GLC 10.6796
21 5WHU SIA GAL GLC 11.4094
22 5CLO NS8 11.8644
23 4CNE SAH 11.985
24 6B74 BEN 12.3457
25 5DQY BEZ 16.1905
26 5U61 7WG 22.1453
Pocket No.: 7; Query (leader) PDB : 2UUU; Ligand: FAD; Similar sites found with APoc: 27
This union binding pocket(no: 7) in the query (biounit: 2uuu.bio2) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 2CE7 ADP 1.68067
2 4C2G ALA ALA ALA ALA 1.79372
3 5YJS SAL 2.30769
4 2WEI VGG 2.43902
5 1W6U HXC 2.64901
6 2YLN CYS 2.82686
7 2DTJ THR 3.37079
8 2HU5 GLY PHE 4.46735
9 3T3Z 9PL 5.04202
10 4CSD MFU 5.14706
11 2WD7 VGD 5.22388
12 3N8K D1X 5.23256
13 2QA8 GEN 5.42636
14 4TUZ 36J 5.4902
15 5F7J ADE 5.9375
16 1O5O U5P 6.78733
17 3OZG SSI 6.8
18 3O01 DXC 7.14286
19 5X3R 7Y3 7.31707
20 1HBK MYR 7.86517
21 2RC8 DSN 8.84354
22 2Q37 3AL 10.4972
23 2FKA BEF 14.7287
24 1I7M CG 14.9254
25 2RCA GLY 17.1233
26 2WDQ CBE 24.3478
27 3ZZS TRP 38.4615
Pocket No.: 8; Query (leader) PDB : 2UUU; Ligand: PL3; Similar sites found with APoc: 37
This union binding pocket(no: 8) in the query (biounit: 2uuu.bio2) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 1TV5 N8E 1.12867
2 2J5B TYE 1.43678
3 5OCG 9R5 2.6455
4 1W6U HXC 2.64901
5 2YLN CYS 2.82686
6 1SDW IYT 2.86624
7 6FA4 D1W 2.89017
8 3OLL EST 3.33333
9 3RV5 DXC 3.37079
10 2DTJ THR 3.37079
11 1SJN DUP 3.42466
12 5F6U 5VK 3.82166
13 1US5 GLU 3.82166
14 4G05 JZ3 4.10095
15 4YVN EBS 4.87329
16 2QA8 GEN 5.42636
17 4TUZ 36J 5.4902
18 4QAC KK3 5.52995
19 4V1F BQ1 5.81395
20 4IF4 BEF 6.25
21 5LHT TIH 6.46258
22 4NS0 PIO 6.76692
23 3O01 DXC 7.14286
24 3B8I OXL 7.31707
25 1HBK MYR 7.86517
26 1L5Y BEF 8.3871
27 2RC8 DSN 8.84354
28 3QXV MTX 9.52381
29 1XXA ARG 10.2564
30 2QL9 CIT 10.3093
31 6GNO XDI 14.8148
32 4DE3 DN8 14.8289
33 5LS7 ACO 16.7883
34 2RCA GLY 17.1233
35 3I54 CMP 17.6707
36 2WDQ CBE 24.3478
37 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 34.2105
APoc FAQ
Feedback