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: 159
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 DG1 0.68 1
8 1DG 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 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4was.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found: 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 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found: 99
This union binding pocket(no: 3) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R78 AMP 0.03537 0.40924 1.2945
2 4GCZ FMN 0.01748 0.4044 1.64835
3 3B8Y ADA ADA ADA ADA 0.03869 0.40715 1.74419
4 4RM0 FUC NDG GAL 0.02948 0.42558 1.89873
5 2YGM GLA NAG GAL FUC 0.04009 0.40632 1.9774
6 1X9I G6Q 0.03084 0.40516 1.98676
7 4UMJ BFQ 0.03278 0.41329 2.02703
8 2C91 TLA 0.008131 0.44324 2.07101
9 5CQG 55C 0.01828 0.43266 2.1978
10 3QRY DMJ 0.03752 0.41176 2.1978
11 4R5M 4NO 0.003044 0.40689 2.1978
12 1R6B ADP 0.02882 0.40666 2.1978
13 5A7Y SAH 0.0301 0.41299 2.24359
14 2VGD XYP XYP 0.01027 0.42151 2.29358
15 3B9Q MLI 0.04475 0.40963 2.31788
16 1XJD STU 0.0145 0.40818 2.31884
17 5GZ6 NDP 0.01003 0.40946 2.45399
18 4I9B 1KA 0.02201 0.41286 2.47253
19 4B1V LAB 0.03291 0.4072 2.47253
20 2DBZ NAP 0.005418 0.40205 2.69461
21 4AU8 Z3R 0.0328 0.40728 2.7027
22 1KXP ATP 0.01771 0.40122 2.74725
23 3NJ4 AFX 0.02637 0.4004 2.74725
24 2CVQ NDP 0.002687 0.41403 2.75229
25 1SQS TLA 0.02557 0.42592 2.89256
26 4MDH NAD 0.003728 0.41101 2.99401
27 5MDH NAD 0.003676 0.41126 3.003
28 4AUA 4AU 0.009663 0.42317 3.02198
29 5KOD IAC 0.04298 0.41097 3.02198
30 3HKW IX6 0.02473 0.40662 3.02198
31 5D59 PHE 0.009191 0.43182 3.2967
32 5BU2 AMP 0.01629 0.42576 3.2967
33 4BQS K2Q 0.03786 0.40765 3.40909
34 1VM6 NAD 0.004853 0.4117 3.50877
35 4E5N NAD 0.00216 0.41256 3.63636
36 3WLE NAD 0.001569 0.40576 3.81232
37 4YSX E23 0.02386 0.42254 3.84615
38 4X7Q 3YR 0.02186 0.40928 3.84615
39 4JK3 NAD 0.003868 0.41303 3.861
40 3C0G 3AM 0.01763 0.41751 3.9886
41 3EXS 5RP 0.03257 0.40395 4.0724
42 4RQU NAD 0.0002616 0.45379 4.12088
43 4JE5 PLP 0.04408 0.40055 4.12088
44 4D4U FUC GAL NAG 0.04771 0.40225 4.12698
45 1CT9 AMP 0.03102 0.41229 4.3956
46 1U8X NAD 0.007349 0.40168 4.3956
47 4GKV NAD 0.00009236 0.45505 4.7619
48 1KEV NDP 0.0007334 0.42238 4.8433
49 4UYG 73B 0.03317 0.41577 5.09554
50 2XEM SSV 0.03843 0.40368 5.33333
51 1OW4 2AN 0.01613 0.42332 5.42636
52 5H81 NAP 0.00164 0.44096 5.76923
53 1YKF NAP 0.00165 0.41964 5.96591
54 2GZ3 NAP 0.001016 0.42503 6.04396
55 2DT5 NAD 0.0006589 0.43803 6.16114
56 1EZ4 NAD 0.006858 0.4029 6.28931
57 3AQT RCO 0.04294 0.40678 6.53061
58 4BVA NDP 0.001413 0.41958 6.56716
59 2AWN ADP 0.03935 0.40528 6.59341
60 1UNH IXM 0.01768 0.41386 8.65385
61 3TWO NDP 0.0001651 0.44302 8.90805
62 4LH7 1X8 0.02871 0.42001 8.97833
63 5AX9 4KT 0.02344 0.40141 9.09091
64 4PL8 ATP 0.01807 0.40081 9.58904
65 1CDO NAD 0.0003862 0.45369 9.61539
66 5HCN GCP 0.01522 0.42075 10.3448
67 1D1T NAD 0.0005495 0.43235 10.989
68 1P0F NAP 0.0004062 0.41515 11.2637
69 1ZOY UQ1 0.02827 0.41906 11.4286
70 5VKT NAP 0.0006031 0.43654 11.6022
71 1E3I CXF 0.0008016 0.41604 11.8132
72 1U3U BNF 0.0004039 0.40618 12.0879
73 1U3U NAD 0.0004039 0.40618 12.0879
74 2FZW NAD 0.002839 0.40402 12.9121
75 3GFB NAD 0.000739 0.4391 13.1429
76 2PBD ATP 0.0182 0.40068 13.9535
77 3IWD M2T 0.03322 0.41466 14.7059
78 1YQD NAP 0.0003564 0.43653 15.0273
79 5FI3 NAP 0.0005055 0.4395 16.5266
80 1YB5 NAP 0.000006845 0.49606 17.9487
81 2P0D I3P 0.006102 0.42325 19.3798
82 2QQC AG2 0.0399 0.41028 20.7547
83 2ZB3 NDP 0.000005207 0.5206 23.2295
84 5DOZ NDP 0.0006661 0.42652 24.5562
85 4JBI NDP 0.00006282 0.48974 25
86 2ZB4 NAP 0.000007018 0.48339 26.0504
87 2ZB4 5OP 0.000007121 0.47826 26.0504
88 3B6Z CO7 0.0003654 0.43898 26.0989
89 4RVU NDP 0.00001041 0.48945 27.1084
90 2DM6 IMN 0.0000002026 0.52483 28.2282
91 2DM6 NAP 0.000000334 0.52326 28.2282
92 4A0S NAP 0.000007891 0.50527 28.2967
93 5DP2 NAP 0.0001919 0.41362 28.655
94 4B7X NAP 0.000003798 0.50923 29.1667
95 3JV7 NAD 0.001886 0.4174 30.4348
96 3QWB NDP 0.000002227 0.52616 31.4371
97 1LLU NAD 0.00008474 0.4564 34.7953
98 4IDC 1XX 0.00004646 0.45002 38.253
99 4IDC NDP 0.00004646 0.45002 38.253
Pocket No.: 4; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4was.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WAS; Ligand: NAP; Similar sites found: 125
This union binding pocket(no: 5) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LRE ADP 0.04094 0.40537 1.40845
2 3ITJ CIT 0.03902 0.42454 1.47929
3 3WLV AZA 0.04392 0.40798 1.60256
4 3BEO UDP 0.0169 0.41141 1.64835
5 4DPL NAP 0.003066 0.40923 1.67131
6 3B8Y ADA ADA ADA ADA 0.02881 0.41401 1.74419
7 4RM0 FUC NDG GAL 0.02929 0.42444 1.89873
8 5NGL NOJ BGC 0.01663 0.42672 1.92308
9 1UZ4 IFL 0.03614 0.40916 1.92308
10 2YGM GLA NAG GAL FUC 0.0356 0.40909 1.9774
11 2C91 TLA 0.01082 0.43573 2.07101
12 4R5M 4NO 0.0009173 0.42672 2.1978
13 4R5M NAP 0.003338 0.41032 2.1978
14 3QRY DMJ 0.04331 0.40832 2.1978
15 1XV5 UDP 0.02317 0.40476 2.1978
16 1P1M MET 0.01237 0.40259 2.1978
17 1R4W GSH 0.02283 0.41182 2.21239
18 5A7Y SAH 0.0291 0.41378 2.24359
19 3B9Q MLI 0.02361 0.40751 2.31788
20 1XJD STU 0.01739 0.40451 2.31884
21 1I0B PEL 0.02973 0.40834 2.40964
22 5GZ6 NDP 0.008927 0.41172 2.45399
23 4I9B 1KA 0.0175 0.4161 2.47253
24 4B1Y LAB 0.04077 0.40592 2.47253
25 4B1X LAB 0.04657 0.40281 2.47253
26 2DBZ NAP 0.003461 0.40971 2.69461
27 1EYQ NAR 0.03025 0.41288 2.7027
28 3NJ4 AFX 0.01658 0.40879 2.74725
29 2PUL ACP 0.02301 0.4049 2.74725
30 2CVQ NDP 0.003402 0.41 2.75229
31 1SQS TLA 0.03318 0.41852 2.89256
32 4I6H 1C8 0.02258 0.40219 2.92208
33 4MDH NAD 0.003591 0.41166 2.99401
34 5MDH NAD 0.003777 0.41078 3.003
35 4AUA 4AU 0.006924 0.43016 3.02198
36 4H4D 10E 0.02785 0.40742 3.09598
37 5BU2 AMP 0.01197 0.43759 3.2967
38 5D59 PHE 0.02636 0.40864 3.2967
39 4BQS K2Q 0.03434 0.40993 3.40909
40 1LOJ U 0.01195 0.43267 3.44828
41 1LOJ URI 0.0166 0.42555 3.44828
42 1VM6 NAD 0.001163 0.43736 3.50877
43 3NGL NAP 0.01395 0.40307 3.62319
44 4E5N NAD 0.001937 0.41437 3.63636
45 3WLE NAD 0.0003869 0.42718 3.81232
46 2FYF PLP 0.02851 0.41425 3.84615
47 4X7Q 3YR 0.01854 0.41284 3.84615
48 4JK3 NAD 0.002674 0.41955 3.861
49 5LD5 NAD 0.00662 0.41159 3.91061
50 3GLC R5P 0.03841 0.40028 4.0678
51 3EXS 5RP 0.03058 0.40887 4.0724
52 4RQU NAD 0.0001775 0.4604 4.12088
53 1R6N 434 0.03053 0.42109 4.2654
54 3CV2 OXL 0.007015 0.45248 4.3956
55 2BP1 FLC 0.005911 0.44257 4.3956
56 1CT9 AMP 0.02277 0.41946 4.3956
57 4UP4 NDG 0.03841 0.41222 4.3956
58 1U8X NAD 0.006681 0.40336 4.3956
59 4LCN GNG 0.03364 0.40323 4.56853
60 4CJN MUR 0.01956 0.41168 4.67033
61 4GKV NAD 0.00002253 0.47728 4.7619
62 1KEV NDP 0.0002411 0.43992 4.8433
63 1P7T PYR 0.009681 0.45744 4.94506
64 5D9X GSH 0.04677 0.40863 5.21739
65 1V8B NAD 0.001842 0.40331 5.21978
66 2XEM SSV 0.03434 0.40624 5.33333
67 4PPF FLC 0.03211 0.41248 5.42857
68 5H81 NAP 0.001553 0.44198 5.76923
69 4M26 AKG 0.01844 0.42972 5.76923
70 1JLX GAL A2G MBN 0.04685 0.40809 5.94059
71 1YKF NAP 0.00112 0.42615 5.96591
72 2GZ3 NAP 0.0003531 0.44195 6.04396
73 1K1Y MAL 0.01781 0.43928 6.04396
74 2DT5 NAD 0.0004689 0.44383 6.16114
75 1TZD ADP 0.04933 0.40613 6.18182
76 3AQT RCO 0.03699 0.41152 6.53061
77 5CDH TLA 0.02612 0.42006 6.54762
78 4BVA NDP 0.0007116 0.43091 6.56716
79 2AWN ADP 0.04385 0.40358 6.59341
80 1VBO MAN MAN MAN 0.0131 0.43924 6.71141
81 3BPX SAL 0.01126 0.44114 6.75676
82 3KB6 NAD 0.006852 0.40043 7.48503
83 4YMJ 4EJ 0.04837 0.406 7.56579
84 1T36 ORN 0.0304 0.41678 7.69231
85 5DZT AMP 0.04561 0.4071 7.69231
86 3FAL REA 0.01898 0.41233 7.89474
87 5M67 NAD 0.002952 0.40795 7.96703
88 5M67 ADE 0.003249 0.40642 7.96703
89 3DTU DXC 0.04692 0.40625 7.96703
90 5M67 3D1 0.003503 0.40521 7.96703
91 1UNH IXM 0.02009 0.4111 8.65385
92 3TWO NDP 0.0000879 0.4528 8.90805
93 5AX9 4KT 0.01425 0.41169 9.09091
94 1CDO NAD 0.00007629 0.4823 9.61539
95 3KO0 TFP 0.04756 0.40359 9.90099
96 1D1T NAD 0.0002752 0.4436 10.989
97 1JPA ANP 0.027 0.42162 11.2179
98 1P0F NAP 0.0002495 0.42399 11.2637
99 5VKT NAP 0.0001106 0.46501 11.6022
100 1E3I CXF 0.0002878 0.43171 11.8132
101 1U3U NAD 0.0002438 0.41468 12.0879
102 1U3U BNF 0.0002438 0.41468 12.0879
103 2FZW NAD 0.0004124 0.43438 12.9121
104 3GFB NAD 0.0005843 0.44318 13.1429
105 1YQD NAP 0.00006314 0.46424 15.0273
106 3EJ0 11X 0.04494 0.41444 15.3061
107 5FI3 NAP 0.00009811 0.46702 16.5266
108 1YB5 NAP 0.0000008321 0.52928 17.9487
109 2ZB3 NDP 0.00000241 0.53374 23.2295
110 5DOZ NDP 0.0000365 0.47301 24.5562
111 4JBI NDP 0.00003344 0.50105 25
112 2ZB4 NAP 0.000002446 0.49937 26.0504
113 2ZB4 5OP 0.000002706 0.4928 26.0504
114 3B6Z CO7 0.0006728 0.42906 26.0989
115 4RVU NDP 0.000007229 0.4952 27.1084
116 2DM6 IMN 0.00000007919 0.53894 28.2282
117 2DM6 NAP 0.0000001793 0.53273 28.2282
118 4A0S NAP 0.000004718 0.51376 28.2967
119 5DP2 NAP 0.00005469 0.43304 28.655
120 4B7X NAP 0.000001478 0.52434 29.1667
121 3JV7 NAD 0.0003845 0.4441 30.4348
122 3QWB NDP 0.000000699 0.5453 31.4371
123 1LLU NAD 0.00001622 0.48246 34.7953
124 4IDC NDP 0.00004895 0.44964 38.253
125 4IDC 1XX 0.00004895 0.44964 38.253
Pocket No.: 6; Query (leader) PDB : 4WAS; Ligand: COO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4was.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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