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Receptor
PDB id Resolution Class Description Source Keywords
1GUF 2.25 Å EC: 1.3.1.10 ENOYL THIOESTER REDUCTASE FROM CANDIDA TROPICALIS CANDIDA TROPICALIS OXIDOREDUCTASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF ENOYL THIOESTER REDU INVOLVED IN MITOCHONDRIAL MAINTENANCE J.MOL.BIOL. V. 327 47 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1387;
A:1388;
A:1389;
B:1387;
B:1388;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NDP A:1393;
B:1392;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
SO4 A:1390;
A:1391;
A:1392;
A:4003;
A:4004;
B:1389;
B:1390;
B:1391;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
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
4WAS 1.7 Å EC: 1.3.1.10 STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX CANDIDA TROPICALIS MITOCHONDRIAL FATTY ACID SYNTHESIS OXIDOREDUCTASE
Ref.: THE USE OF ENE ADDUCTS TO STUDY AND ENGINEER ENOYL-REDUCTASES. NAT.CHEM.BIOL. V. 11 398 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5LB9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4WAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LBX - COO C25 H40 N7 O17 P3 S CC=CC(=O)S....
4 1GUF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5LB9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4WAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LBX - COO C25 H40 N7 O17 P3 S CC=CC(=O)S....
4 1GUF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5LB9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4WAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5LBX - COO C25 H40 N7 O17 P3 S CC=CC(=O)S....
4 1GUF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 4was.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2BL9 NDP 1.2605
2 2BL9 CP6 1.2605
3 1EU1 GLC 1.37363
4 4A2A ATP 1.92308
5 3KJS NAP 1.92308
6 2PTZ PAH 1.92308
7 1NZY BCA 2.23048
8 3BP1 GUN 2.41379
9 4I9B 1KA 2.47253
10 1GPM CIT 2.47253
11 1J3I WRA 2.5
12 1VAY AZA 3.13589
13 2NVA PL2 3.57143
14 3WLE NAD 3.81232
15 6GNA FAD 3.81944
16 2YCH ATP 4.12088
17 3NB0 G6P 4.3956
18 5ZZB ATP 4.41176
19 4GKV NAD 4.7619
20 4KBY C2E 4.83092
21 4AF5 CIT 5.78947
22 3HGM ATP 6.12245
23 4Y1B NAP 8.51648
24 5HSA FAS 8.51648
25 4J56 FAD 8.77193
26 1YQZ FAD 8.79121
27 3TWO NDP 8.90805
28 2JHF NAD 10.1648
29 1D1T NAD 10.989
30 1P0F NAP 11.2637
31 5VKT NAP 11.6022
32 1U3U BNF 12.0879
33 1U3U NAD 12.0879
34 2E7Z MGD 12.6374
35 2B5W NAP 12.8852
36 6H3O FAD 12.9121
37 1YQD NAP 15.0273
38 5FI3 NAP 16.5266
39 1YB5 NAP 17.9487
40 4W6Z 8ID 21.3256
41 2ZB3 NDP 23.2295
42 5DOZ NDP 24.5562
43 1R37 NAD 24.7839
44 4JBI NDP 25
45 3JYN NDP 25.5385
46 2ZB4 NAP 26.0504
47 2ZB4 5OP 26.0504
48 4RVU NDP 27.1084
49 2DM6 IMN 28.2282
50 2DM6 NAP 28.2282
51 4A0S NAP 28.2967
52 4B7X NAP 29.1667
53 3QWB NDP 31.4371
54 2J8Z NAP 33.3333
55 1LLU NAD 34.7953
56 1H2B NAJ 37.3259
57 4IDC NDP 38.253
58 4IDC 1XX 38.253
Pocket No.: 2; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4was.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found with APoc: 145
This union binding pocket(no: 3) in the query (biounit: 4was.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4DPL NAP 1.67131
2 2VCN ISZ 1.91571
3 3SBZ MLI 1.98413
4 4MP8 MLI 2.0649
5 4MP8 NAD 2.0649
6 5NUF NAD 2.10843
7 5NUE NAD 2.10843
8 3B9Q MLI 2.31788
9 4B1W LAB 2.47253
10 4B1V LAB 2.47253
11 4B1X LAB 2.47253
12 3ABI NAD 2.47253
13 1GV0 NAD 2.58065
14 3NJ4 NAD 2.74725
15 3K5I AIR 2.74725
16 2CVQ NDP 2.75229
17 5A1T NAI 2.93255
18 5A1T OXM 2.93255
19 5WBF LAC 2.96296
20 4MDH NAD 2.99401
21 5MDH NAD 3.003
22 4ZVV NAD 3.01205
23 4ZVV GN0 3.01205
24 2BHW NEX 3.01724
25 4PLT NAI 3.02115
26 4PLT OXM 3.02115
27 3OND ADN 3.02198
28 3OND NAD 3.02198
29 1HYE NAP 3.19489
30 5BU2 AMP 3.2967
31 1TB4 PEJ 3.2967
32 5O2J 2PO 3.2967
33 4BQS K2Q 3.40909
34 1LOJ URI 3.44828
35 1LOJ U 3.44828
36 5YU3 NAD 3.48837
37 5YU3 PRO 3.48837
38 5U5N NAD 3.58423
39 4E5N NAD 3.63636
40 1SOW NAD 3.65854
41 1JT1 MCO 3.80228
42 3WLE NAD 3.81232
43 4J4H 1J1 3.861
44 4J4H NAI 3.861
45 4JK3 NAD 3.861
46 1O6Z NAD 3.9604
47 4RQU NAD 4.12088
48 4PLG NAI 4.19162
49 4PLG OXM 4.19162
50 2CDC NAP 4.3956
51 2CDC XYP 4.3956
52 2CDC XYS 4.3956
53 4UP4 NDG 4.3956
54 4UP4 NAG 4.3956
55 1CT9 AMP 4.3956
56 5ZZB LAB 4.41176
57 5VGS 9A4 4.4586
58 2P39 SCR 4.51613
59 5YSI NCA 4.60526
60 4GKV NAD 4.7619
61 1KEV NDP 4.8433
62 3HQ9 OXL 5.21739
63 2ZJ1 NAD 5.21978
64 2ZJ1 ARJ 5.21978
65 1V8B NAD 5.21978
66 6F3N ADN 5.21978
67 6F3M NAD 5.21978
68 6F3N NAD 5.21978
69 1U1I NAD 5.49451
70 6AC9 ANP 5.49451
71 1S14 NOV 5.6701
72 1RM0 D6P 5.76923
73 5H81 NAP 5.76923
74 1RM0 NAI 5.76923
75 1YKF NAP 5.96591
76 2GZ3 NAP 6.04396
77 2DT5 NAD 6.16114
78 1EZ4 NAD 6.28931
79 4BVA T3 6.56716
80 4BVA NDP 6.56716
81 5ZZA LAB 6.61157
82 1VBO MAN MAN MAN 6.71141
83 3MN5 LAB 7.89474
84 5M67 NAD 7.96703
85 5M67 ADE 7.96703
86 5M67 3D1 7.96703
87 3DTU DXC 7.96703
88 2GSD NAD 7.96703
89 4Y1B NAP 8.51648
90 1T26 NAI 8.69565
91 1T26 GBD 8.69565
92 2A92 NAI 8.72274
93 3TWO NDP 8.90805
94 1B8U OAA 9.11854
95 1CDO NAD 9.61539
96 2NAD NAD 9.61539
97 2JHF NAD 10.1648
98 1KOL NAD 10.989
99 1D1T NAD 10.989
100 1P0F NAP 11.2637
101 1F06 NDP 11.5625
102 1F06 2NP 11.5625
103 5VKT NAP 11.6022
104 3CQO FUC 11.6041
105 1E3I CXF 11.8132
106 1U3U NAD 12.0879
107 1U3U BNF 12.0879
108 2DFV NAD 12.1037
109 3CH6 311 12.5874
110 3CH6 NAP 12.5874
111 2B5W NAP 12.8852
112 2FZW NAD 12.9121
113 3GFB NAD 13.1429
114 1F8F NAD 13.4615
115 2V5E SCR 14
116 1YQD NAP 15.0273
117 5FI3 NAP 16.5266
118 1YB5 NAP 17.9487
119 43CA NPO 18.5841
120 2P0D I3P 19.3798
121 4W6Z 8ID 21.3256
122 2ZB3 NDP 23.2295
123 5DOZ NDP 24.5562
124 1R37 NAD 24.7839
125 4JBI NDP 25
126 3JYN NDP 25.5385
127 2ZB4 NAP 26.0504
128 2ZB4 5OP 26.0504
129 3B6Z CO7 26.0989
130 4RVU NDP 27.1084
131 2DM6 NAP 28.2282
132 2DM6 IMN 28.2282
133 4A0S NAP 28.2967
134 5DP2 NAP 28.655
135 4B7X NAP 29.1667
136 1PL6 572 29.2135
137 1PL6 NAD 29.2135
138 5O9F 9ON 30.1136
139 5O9F NAD 30.1136
140 3QWB NDP 31.4371
141 2J8Z NAP 33.3333
142 1LLU NAD 34.7953
143 1H2B NAJ 37.3259
144 4IDC NDP 38.253
145 4IDC 1XX 38.253
Pocket No.: 4; Query (leader) PDB : 4WAS; Ligand: NAP; 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: 4was.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found with APoc: 162
This union binding pocket(no: 5) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4R78 AMP 1.2945
2 4GCZ FMN 1.64835
3 4DPL NAP 1.67131
4 3B8Y ADA ADA ADA ADA 1.74419
5 4RM0 FUC NDG GAL 1.89873
6 2VCN ISZ 1.91571
7 4GPS CIT 1.92308
8 6H45 QEI 1.92308
9 2YGM GLA NAG GAL FUC 1.9774
10 3SBZ MLI 1.98413
11 1X9I G6Q 1.98676
12 3F7Z 34O 2
13 4UMJ BFQ 2.02703
14 2C91 TLA 2.07101
15 5NUF NAD 2.10843
16 5NUE NAD 2.10843
17 2GCG NDP 2.12121
18 5CQG 55C 2.1978
19 4R5M 4NO 2.1978
20 3QRY DMJ 2.1978
21 1R6B ADP 2.1978
22 6HKE MLT 2.20126
23 5A7Y SAH 2.24359
24 6G1P CIT 2.28571
25 2VGD XYP XYP 2.29358
26 3B9Q MLI 2.31788
27 1XJD STU 2.31884
28 1I0B PEL 2.40964
29 5GZ6 NDP 2.45399
30 4B1V LAB 2.47253
31 3G5N PB2 2.47253
32 5N2I NAP 2.58621
33 5XH2 NPO 2.67176
34 2DBZ NAP 2.69461
35 4AU8 Z3R 2.7027
36 4LHD GLY 2.74725
37 3T3Z 9PL 2.74725
38 1KXP ATP 2.74725
39 3NJ4 AFX 2.74725
40 2CVQ NDP 2.75229
41 5LX9 OLB 2.8169
42 1SQS TLA 2.89256
43 5A1T NAI 2.93255
44 5A1T OXM 2.93255
45 1DIG NAP 2.94118
46 4MDH NAD 2.99401
47 5MDH NAD 3.003
48 4CP8 MLI 3.02198
49 4AUA 4AU 3.02198
50 5KOD IAC 3.02198
51 4UX9 ANP 3.02198
52 5OSW DIU 3.02198
53 3HKW IX6 3.02198
54 3OND NAD 3.02198
55 3OND ADN 3.02198
56 5OVC ACE GLU ALA GLN THR ARG LEU 3.125
57 1B74 DGN 3.14961
58 5TC4 NAD 3.16456
59 1HYE NAP 3.19489
60 6GW4 CHO 3.25733
61 5BU2 AMP 3.2967
62 5EXK 5AD 3.32326
63 4BQS K2Q 3.40909
64 1LOJ URI 3.44828
65 1VM6 NAD 3.50877
66 3NGL NAP 3.62319
67 4E5N NAD 3.63636
68 6GIN IR2 3.65448
69 5F1V 3VN 3.7037
70 4XJ2 FMN 3.7234
71 5GQX GLC GLC GLC GLC GLC GLC GLC 3.84615
72 4YSX E23 3.84615
73 4X7Q 3YR 3.84615
74 2XYA 7L4 3.84615
75 4JK3 NAD 3.861
76 3LTW HLZ 3.92857
77 1O6Z NAD 3.9604
78 3C0G 3AM 3.9886
79 3EXS 5RP 4.0724
80 4RQU NAD 4.12088
81 4JE5 PLP 4.12088
82 4D4U FUC GAL NAG 4.12698
83 1OIK AKG 4.31894
84 1CT9 AMP 4.3956
85 2CDC XYP 4.3956
86 1U8X NAD 4.3956
87 2CDC XYS 4.3956
88 2CDC NAP 4.3956
89 3LL9 ADP 4.46097
90 6FFK D7Z 4.57516
91 5YSI NCA 4.60526
92 1W3R PYR 4.62963
93 3HNC TTP 4.67033
94 1LTH FBP 4.70219
95 1KEV NDP 4.8433
96 6DCH CHT 4.90798
97 4UYG 73B 5.09554
98 1J49 NAD 5.1051
99 3HQ9 OXL 5.21739
100 5Z20 NAI 5.21739
101 1O0S NAI 5.21978
102 1V8B NAD 5.21978
103 2XEM SSV 5.33333
104 1P9P SAH 5.36398
105 2WG9 OCA 5.38462
106 1OW4 2AN 5.42636
107 1NXJ GLV 5.46448
108 6AC9 ANP 5.49451
109 6G47 SIA 5.74163
110 5H81 NAP 5.76923
111 2YFO GLA 5.76923
112 2YFO GAL 5.76923
113 1YKF NAP 5.96591
114 2GZ3 NAP 6.04396
115 2DT5 NAD 6.16114
116 4WNB 4BN 6.20155
117 1EZ4 NAD 6.28931
118 3AQT RCO 6.53061
119 4BVA NDP 6.56716
120 2AWN ADP 6.59341
121 4GNC ASO 6.68896
122 5EES NAP 7.28745
123 3O0G 3O0 7.38255
124 6F92 MVL 7.41758
125 1SQL GUN 7.53425
126 3BAZ NAP 7.80781
127 5LQ8 GB 8.15603
128 6GU6 1QK 8.33333
129 1UNH IXM 8.65385
130 2A92 NAI 8.72274
131 4LH7 1X8 8.97833
132 5AX9 4KT 9.09091
133 1B8U NAD 9.11854
134 4JLV ADP 9.29368
135 4PL8 ATP 9.58904
136 1CDO NAD 9.61539
137 5HCN GCP 10.3448
138 1VKF CIT 10.6383
139 1ZOY UQ1 11.4286
140 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 11.4865
141 3E81 SLB 11.5854
142 1E3I CXF 11.8132
143 2DFV NAD 12.1037
144 4JNJ BTN 12.1739
145 1DL7 NCH 12.5
146 2FZW NAD 12.9121
147 3GFB NAD 13.1429
148 1F8F NAD 13.4615
149 2PBD ATP 13.9535
150 2V5E SCR 14
151 5C1M CLR 14.4
152 3IWD M2T 14.7059
153 4JLS 3ZE 15.1316
154 43CA NPO 18.5841
155 3N8K D1X 18.6047
156 2P0D I3P 19.3798
157 4PB2 5UD 19.8113
158 2QQC AG2 20.7547
159 4NM5 ADP 20.8333
160 3B6Z CO7 26.0989
161 5DP2 NAP 28.655
162 1PL6 NAD 29.2135
Pocket No.: 6; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found with APoc: 130
This union binding pocket(no: 6) in the query (biounit: 4was.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4R78 AMP 1.2945
2 1EU1 GLC 1.37363
3 3ITJ CIT 1.47929
4 3BEO UDP 1.64835
5 3B8Y ADA ADA ADA ADA 1.74419
6 4RM0 FUC NDG GAL 1.89873
7 4LOC OXM 1.92308
8 2YGM GLA NAG GAL FUC 1.9774
9 1X9I G6Q 1.98676
10 3F7Z 34O 2
11 2C91 TLA 2.07101
12 2GCG NDP 2.12121
13 4R5M 4NO 2.1978
14 3QRY DMJ 2.1978
15 1XV5 UDP 2.1978
16 5A7Y SAH 2.24359
17 1XJD STU 2.31884
18 1I0B PEL 2.40964
19 3BP1 GUN 2.41379
20 5GZ6 NDP 2.45399
21 3LA3 2FT 2.46914
22 4I9B 1KA 2.47253
23 1GPM CIT 2.47253
24 3G5N PB2 2.47253
25 1GUZ NAD 2.58065
26 5N2I NAP 2.58621
27 3WBF NAP 2.62295
28 2DBZ NAP 2.69461
29 4AU8 Z3R 2.7027
30 4LHD GLY 2.74725
31 3WIR BGC 2.74725
32 5M90 JIF 2.74725
33 3NJ4 AFX 2.74725
34 1SQS TLA 2.89256
35 1DIG NAP 2.94118
36 4AUA 4AU 3.02198
37 4UX9 ANP 3.02198
38 3HKW IX6 3.02198
39 4BG4 ARG 3.08989
40 4H4D 10E 3.09598
41 5X80 SAL 3.125
42 1B74 DGN 3.14961
43 5TC4 NAD 3.16456
44 2HK9 SKM 3.27273
45 4ZGS NAD 3.2967
46 5EXK 5AD 3.32326
47 1VM6 NAD 3.50877
48 3WSG CIT 3.57143
49 5DMZ ADP 3.57143
50 3NGL NAP 3.62319
51 6GIN IR2 3.65448
52 1F4F TP3 3.78788
53 1BQ1 CB3 3.78788
54 2XYA 7L4 3.84615
55 6APL C5P 3.84615
56 2FYF PLP 3.84615
57 4X7Q 3YR 3.84615
58 3CIF G3H 3.89972
59 5LD5 NAD 3.91061
60 3LTW HLZ 3.92857
61 3EXS 5RP 4.0724
62 1R6N 434 4.2654
63 6BII NAP 4.3956
64 1U8X NAD 4.3956
65 3LL9 ADP 4.46097
66 6FFK D7Z 4.57516
67 1W3R PYR 4.62963
68 6CZY PMP 4.69613
69 6DCH CHT 4.90798
70 5X8I SQZ 4.91329
71 1SZO CAX 5.05837
72 1J49 NAD 5.1051
73 5Z20 NAI 5.21739
74 5D9X GSH 5.21739
75 1O0S NAI 5.21978
76 5CSS G3P 5.30973
77 2XEM SSV 5.33333
78 4GN8 ASO 5.35117
79 1P9P SAH 5.36398
80 1OW4 2AN 5.42636
81 1NXJ GLV 5.46448
82 5C9P FUC 5.49451
83 1OCU PIB 5.55556
84 3L4S NAD 5.65476
85 5AOV NAP 5.65476
86 3L4S 3PG 5.65476
87 4M26 AKG 5.76923
88 2YFO GLA 5.76923
89 2YFO GAL 5.76923
90 1T3D CYS 5.88235
91 1K1Y MAL 6.04396
92 4MCC 21X 6.09756
93 3HGM ATP 6.12245
94 4WNB 4BN 6.20155
95 4EPL JAI 6.31868
96 3AQT RCO 6.53061
97 2AWN ADP 6.59341
98 3BPX SAL 6.75676
99 1GXS BEZ 6.96203
100 4IDT T28 7.02247
101 5MB4 NAG 7.14286
102 5EES NAP 7.28745
103 3O0G 3O0 7.38255
104 4NKW PLO 7.41758
105 6F92 MVL 7.41758
106 3KB6 NAD 7.48503
107 1SQL GUN 7.53425
108 1T36 ORN 7.69231
109 3BAZ NAP 7.80781
110 3FAL REA 7.89474
111 5LQ8 GB 8.15603
112 4TQK NAG 8.24176
113 6GU6 1QK 8.33333
114 4R38 RBF 8.57143
115 1UNH IXM 8.65385
116 1Q1Y BB2 8.90052
117 5AX9 4KT 9.09091
118 1B8U NAD 9.11854
119 5K7U SAM 9.33333
120 2XHK AKG 9.90991
121 2XKO AKG 10.1124
122 1VKF CIT 10.6383
123 5ENZ UDP 10.7143
124 3JQA DX4 12.1528
125 4JNJ BTN 12.1739
126 5C1M CLR 14.4
127 3N8K D1X 18.6047
128 4NM5 ADP 20.8333
129 2XN2 GLA 21.7033
130 3T03 3T0 38.8889
Pocket No.: 7; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found with APoc: 67
This union binding pocket(no: 7) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 3LRE ADP 1.40845
2 3WLV AZA 1.60256
3 2Y65 ADP 1.64835
4 5NGL NOJ BGC 1.92308
5 3H2K BOG 1.92308
6 4L77 CNL 1.92308
7 1UZ4 IFL 1.92308
8 1YS4 NAP 1.9774
9 1DRV A3D 2.1978
10 4R5M NAP 2.1978
11 2RH1 CLR 2.1978
12 1P1M MET 2.1978
13 1R4W GSH 2.21239
14 5EO8 TFU 2.2508
15 6G1P CIT 2.28571
16 2JL1 NAP 2.43902
17 2O4C NAD 2.47253
18 2KIN ADP 2.52101
19 1EYQ NAR 2.7027
20 1ZFJ IMP 2.74725
21 2PUL ACP 2.74725
22 1LUA NAP 2.78746
23 4I6H 1C8 2.92208
24 1GQ2 NAP 3.02198
25 5ZAI COA 3.0888
26 1VAY AZA 3.13589
27 4KFU ACP 3.30189
28 1BG2 ADP 4
29 3GLC R5P 4.0678
30 3I7S PYR 4.10959
31 1OIK AKG 4.31894
32 3CV2 OXL 4.3956
33 2BP1 FLC 4.3956
34 4UP4 GAL NAG 4.3956
35 5NM7 GLY 4.51128
36 4LCN GNG 4.56853
37 3A51 VDY 4.67033
38 4CJN MUR 4.67033
39 3HCH RSM 4.79452
40 2A8Y MTA 4.81482
41 1P7T PYR 4.94506
42 1OMO NAD 4.96894
43 1HYH NAD 5.17799
44 3C1O NAP 5.29595
45 4PPF FLC 5.42857
46 2ZWI C5P 5.49451
47 1H8P PC 5.50459
48 1JLX GAL A2G MBN 5.94059
49 1TZD ADP 6.18182
50 1WP4 NDP 6.22837
51 5V3Y 5V8 6.29371
52 5OJY CIT 6.29921
53 5CDH TLA 6.54762
54 1TZJ A3B 7.10059
55 4JP3 CIT 7.53138
56 4YMJ 4EJ 7.56579
57 5DZT AMP 7.69231
58 2V7B BEZ 7.96703
59 6F3G CJN 8.47458
60 3KO0 TFP 9.90099
61 1JPA ANP 11.2179
62 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 11.4865
63 4DOO DAO 12.1951
64 1NVT NAP 13.5889
65 5C1M 4VO 14.4
66 3EJ0 11X 15.3061
67 6A5Y 9CR 43.75
Pocket No.: 8; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found with APoc: 74
This union binding pocket(no: 8) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4MRP GSH 1.0989
2 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.36054
3 5W6Y TRP 1.58228
4 5B0I BOG 1.74927
5 3I9U DTU 1.90114
6 3H2K BOG 1.92308
7 5NGL NOJ BGC 1.92308
8 2IOR ADP 2.12766
9 5EZ1 ICB 2.16606
10 6F90 MVL 2.1978
11 4CSD MFU 2.20588
12 1R4W GSH 2.21239
13 5EO8 TFU 2.2508
14 1TV5 N8E 2.25734
15 5UC4 83S 2.27273
16 1EYQ NAR 2.7027
17 2HHP FLC 2.74725
18 4G86 BNT 2.8169
19 4I6H 1C8 2.92208
20 5WBF LAC 2.96296
21 2BHW NEX 3.01724
22 5F7J ADE 3.125
23 1Q7E MET 3.2967
24 1LOJ U 3.44828
25 2HFK E4H 3.44828
26 5IUY BOG 3.57143
27 5X30 HCS 3.57143
28 1B4N GUA 3.84615
29 5X3R 7Y3 3.90244
30 3P7I P7I 4.36137
31 2BP1 FLC 4.3956
32 5ZZB LAB 4.41176
33 4QO5 NAG 4.67033
34 2O1V ADP 4.67033
35 6DF7 G9V 4.79042
36 2VAR KDF 4.79233
37 2VAR KDG 4.79233
38 2A8Y MTA 4.81482
39 5D9X GSH 5.21739
40 6CB2 OLC 5.46075
41 5YAK FMN 6.06061
42 1TZD ADP 6.18182
43 6D28 NEC 6.22711
44 5OJY CIT 6.29921
45 1VBO MAN MAN MAN 6.71141
46 3BPX SAL 6.75676
47 4OGQ 7PH 6.875
48 1TZJ A3B 7.10059
49 5MB4 NAG 7.14286
50 6A0S NDP 7.53012
51 4JP3 CIT 7.53138
52 1YC4 43P 7.69231
53 1T36 ORN 7.69231
54 3MN5 LAB 7.89474
55 2V7B BEZ 7.96703
56 3DTU DXC 7.96703
57 2D5X L35 8.51064
58 5TVI MYR 8.69565
59 4LAM 5CU 9.06593
60 2AJ4 ANP 9.06593
61 2F2G HMH 9.50226
62 4URX FK1 9.61539
63 3KO0 TFP 9.90099
64 1JPA ANP 11.2179
65 4DOO DAO 12.1951
66 1YRX FMN 14.0496
67 3EJ0 11X 15.3061
68 4RJD TFP 16.6667
69 4V1F BQ1 22.093
70 4URN NOV 27.1111
71 3OLL EST 36.8421
72 5HYR EST 38.4615
73 5DXE EST 38.4615
74 5WGQ EST 46.1538
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