Receptor
PDB id Resolution Class Description Source Keywords
4PIV 2.3 Å EC: 2.3.1.85 HUMAN FATTY ACID SYNTHASE PSI/KR TRI-DOMAIN WITH NADPH AND G HOMO SAPIENS FATTY ACID SYNTHASE HUMAN FAS KETO-REDUCTASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: A HUMAN FATTY ACID SYNTHASE INHIBITOR BINDS BETA-KE REDUCTASE IN THE KETO-SUBSTRATE SITE. NAT.CHEM.BIOL. V. 10 774 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:2202;
B:2202;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
SO4 B:2204;
A:2204;
B:2203;
A:2203;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
2W4 A:2205;
B:2205;
Valid;
Valid;
none;
none;
ic50 = 7.7 nM
428.483 C25 H24 N4 O3 c1cc(...
CAC B:2201;
A:2201;
Invalid;
Invalid;
none;
none;
submit data
136.989 C2 H6 As O2 C[As]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PIV 2.3 Å EC: 2.3.1.85 HUMAN FATTY ACID SYNTHASE PSI/KR TRI-DOMAIN WITH NADPH AND G HOMO SAPIENS FATTY ACID SYNTHASE HUMAN FAS KETO-REDUCTASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: A HUMAN FATTY ACID SYNTHASE INHIBITOR BINDS BETA-KE REDUCTASE IN THE KETO-SUBSTRATE SITE. NAT.CHEM.BIOL. V. 10 774 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PIV ic50 = 7.7 nM 2W4 C25 H24 N4 O3 c1cc(ccc1c....
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 4PIV ic50 = 7.7 nM 2W4 C25 H24 N4 O3 c1cc(ccc1c....
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 4PIV ic50 = 7.7 nM 2W4 C25 H24 N4 O3 c1cc(ccc1c....
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
Ligand no: 2; Ligand: 2W4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2W4 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PIV; Ligand: 2W4; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 4piv.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QPG 3PG 0.01201 0.40357 1.68675
2 2VZ0 D64 0.01582 0.43539 1.86567
3 2VZ0 NAP 0.01582 0.43539 1.86567
4 4YRD 3IT 0.009727 0.42479 2.22841
5 4JWK CTN 0.0175 0.40875 3.10881
6 1US5 GLU 0.0118 0.40248 3.18471
7 3WMX THR 0.03117 0.40163 3.35196
8 2FAH MLA 0.01408 0.4099 3.45395
9 3F81 STT 0.01635 0.40823 3.82514
10 2YMZ LAT 0.004304 0.4242 3.84615
11 5BU2 AMP 0.02637 0.40118 3.96476
12 2PFY PCA 0.01919 0.40475 3.98671
13 2CFC KPC 0.001032 0.4718 4
14 4CM8 IZ9 0.004236 0.42334 4.39394
15 3JQ9 AX1 0.009621 0.41515 4.39394
16 4CMI M4V 0.007095 0.40882 4.39394
17 1A27 EST 0.002282 0.427 4.49827
18 4XFR CIT 0.01427 0.41116 5.15223
19 4XCP PLM 0.02426 0.40239 5.29412
20 2GCG DGY 0.02606 0.4041 5.45455
21 2C29 DQH 0.008124 0.40237 5.63798
22 2WSB NAD 0.004046 0.44181 6.29921
23 1JA9 PYQ 0.0001278 0.50747 6.93431
24 4JP3 CIT 0.0004255 0.47002 7.11297
25 1KJ1 MAN 0.006889 0.42041 8.25688
26 3AI3 SOL 0.002317 0.45113 8.74525
27 2JAP J01 0.01209 0.41025 8.90688
28 4OSP 2V4 0.003946 0.43944 10.2662
29 5EPO TUD 0.001009 0.43836 11.0687
30 3CH6 NAP 0.005856 0.44957 11.5385
31 3VV1 GAL FUC 0.01014 0.41862 13.75
32 4HXY ACA 0.001292 0.42763 17.5799
33 4NBU CAA 0.0001928 0.48032 18
34 1G0N PHH 0.003541 0.44559 18.3746
35 1G0N NDP 0.003566 0.44235 18.3746
36 2AE2 NAP 0.002801 0.44944 18.8462
37 2AE2 PTO 0.002801 0.44944 18.8462
Pocket No.: 2; Query (leader) PDB : 4PIV; Ligand: NDP; Similar sites found: 488
This union binding pocket(no: 2) in the query (biounit: 4piv.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W62 PYC 0.03763 0.40648 1.20773
2 1UWK NAD 0.002267 0.4211 1.21212
3 3M89 GSP 0.02799 0.40199 1.40515
4 4EUE NAI 0.00001411 0.4821 1.43541
5 1Z45 NAD 0.0000002207 0.55976 1.51515
6 4KTP BGC 0.04263 0.40345 1.51515
7 5MSO NAP 0.0000005894 0.52157 1.53322
8 4RQU NAD 0.0006749 0.43094 1.6
9 1PIG GLC GLC 0.04796 0.40235 1.6129
10 4FUS CBI 0.03848 0.40698 1.66667
11 1EBF NAD 0.001012 0.43662 1.67598
12 1P31 EPU 0.008532 0.41313 1.68421
13 1U8X NAD 0.0002501 0.45433 1.69492
14 1X7D NAD 0.0002036 0.45095 1.71429
15 1X7D ORN 0.0004846 0.40636 1.71429
16 4PLG NAI 0.0001495 0.42271 1.79641
17 4PLG OXM 0.00839 0.41864 1.79641
18 1DSS NAD 0.0006088 0.44227 1.8018
19 4O0L NDP 0.0000001696 0.559 1.81818
20 1T10 F6P 0.01937 0.42343 1.81818
21 1VKO NAD 0.0002164 0.43872 1.8622
22 2WD7 NAP 0.0000001079 0.57687 1.86567
23 2VZ0 NAP 0.000003333 0.55975 1.86567
24 2VZ0 D64 0.000003333 0.55975 1.86567
25 5IN4 NAP 0.00001759 0.56372 1.92308
26 5IN4 6CK 0.00001754 0.56337 1.92308
27 5IN4 GDP 0.00001717 0.56296 1.92308
28 1HKU NAD 0.00212 0.40661 1.95531
29 1LCF OXL 0.02101 0.40367 1.9697
30 1SC6 NAD 0.001292 0.41052 1.9802
31 2C49 ADN 0.01189 0.40979 1.98676
32 3GLC R5P 0.009783 0.42476 2.0339
33 2DBZ NAP 0.0006191 0.43239 2.09581
34 2GLX NDP 0.002581 0.41985 2.10843
35 1X87 NAD 0.003299 0.41847 2.17786
36 2PK3 A2R 0.00001632 0.5308 2.18069
37 5CQG 55C 0.0131 0.43312 2.18121
38 5LFV SIA GAL NAG 0.007577 0.44407 2.2082
39 5FI3 NAP 0.003217 0.40232 2.2409
40 3OIG NAD 0.0000254 0.4897 2.25564
41 1MUU NAD 0.001625 0.425 2.29358
42 4JK3 NAD 0.001839 0.41985 2.3166
43 1ZMD NAI 0.003829 0.40992 2.32068
44 4GKV NAD 0.0002501 0.42719 2.38095
45 2JHF NAD 0.002564 0.45842 2.40642
46 1J0X NAD 0.004577 0.40727 2.40964
47 1WP4 NDP 0.00177 0.41763 2.42215
48 2CVZ NDP 0.005002 0.40254 2.42215
49 1SOW NAD 0.00007948 0.45445 2.43902
50 1WVG APR 0.00007844 0.4783 2.50696
51 3CIF NAD 0.0006667 0.43115 2.50696
52 1MV8 NAD 0.0008246 0.43371 2.52294
53 1LDN NAD 0.0005963 0.42712 2.53165
54 1HYE NAP 0.002595 0.42285 2.55591
55 2YY7 NAD 0.0000002343 0.55378 2.5641
56 4L8F MTX 0.04912 0.40114 2.5641
57 5H81 NAP 0.001798 0.43289 2.57069
58 3GFB NAD 0.002166 0.41419 2.57143
59 3ICS ADP 0.002735 0.45219 2.57576
60 3ICT ADP 0.003016 0.45009 2.57576
61 2NVK NAP 0.02477 0.41629 2.57576
62 1YXM ADE 0.02319 0.40419 2.57576
63 1HYH NAD 0.001431 0.41297 2.589
64 1F8G NAD 0.0006876 0.45075 2.60417
65 1L7E NAI 0.0007496 0.44199 2.60417
66 2C5A GDC 0.0000003553 0.43926 2.63852
67 2C5A NAD 0.0000003553 0.43926 2.63852
68 1W8D NAP 0.00000001625 0.63419 2.64901
69 1W73 NAP 0.00000001672 0.63368 2.64901
70 1TE2 PGA 0.04404 0.40272 2.65487
71 1GEE NAD 0.0000001554 0.56552 2.68199
72 9LDT NAD 0.0002379 0.44196 2.71084
73 9LDB NAD 0.0002478 0.4413 2.71084
74 2X61 CH 0.01877 0.41067 2.71318
75 1CER NAD 0.001059 0.4294 2.71903
76 1XKQ NDP 0.0000008967 0.51961 2.72727
77 1XF1 CIT 0.00541 0.45818 2.72727
78 1VL0 NAI 0.0000001575 0.58748 2.73973
79 3ICC NAP 0.000000385 0.53898 2.7451
80 5DN9 NAD 0.002317 0.40778 2.74725
81 1H2B NAJ 0.001021 0.40994 2.78552
82 1RKX NAD 0.000002389 0.51628 2.80112
83 4CJX NAP 0.005123 0.40479 2.82132
84 1SW0 PGA 0.02175 0.40747 2.82258
85 2G5C NAD 0.000443 0.4349 2.84698
86 4O1M NAD 0.00007312 0.46448 2.85714
87 4XOE KGM 0.03976 0.40557 2.86738
88 3JV7 NAD 0.0007801 0.4256 2.89855
89 2B4R NAD 0.001262 0.41501 2.89855
90 2B4R AES 0.003507 0.4009 2.89855
91 2PD4 DCN 0.00003835 0.452 2.90909
92 2PD4 NAD 0.00004073 0.45095 2.90909
93 4JBL MET 0.04666 0.40141 2.94985
94 3QWI NAP 0.0000006159 0.53184 2.96296
95 3QWI CUE 0.000001529 0.47183 2.96296
96 4ITU NAI 0.0000001888 0.54238 2.97398
97 4ITU 1HS 0.0000004752 0.48256 2.97398
98 3LU1 NAD 0.0000002361 0.55865 3.02198
99 3ABI NAD 0.001647 0.41333 3.0303
100 2AG8 NAP 0.004792 0.41781 3.04183
101 2EV9 NAP 0.001404 0.40928 3.04183
102 2EV9 SKM 0.001404 0.40928 3.04183
103 1E7S NAP 0.00001298 0.49066 3.11526
104 1UP7 NAD 0.001893 0.42232 3.11751
105 1GEG NAD 0.000001417 0.52923 3.125
106 1A5Z NAD 0.0002059 0.47315 3.1348
107 2DFV NAD 0.0009263 0.42863 3.17003
108 1DJN ADP 0.003076 0.41975 3.18182
109 4ZRN NAD 0.00000000825 0.5817 3.20513
110 4ZRN UPG 0.00000008449 0.4682 3.20513
111 1CDO NAD 0.003218 0.41017 3.20856
112 1DMH MCT 0.04022 0.40106 3.21543
113 3OJO NAD 0.001885 0.42868 3.24826
114 1BDB NAD 0.0000173 0.47418 3.2491
115 1MXH DHF 0.0000002987 0.50469 3.26087
116 1MXH NAP 0.0000003559 0.50244 3.26087
117 3WBF NAP 0.001798 0.41458 3.27869
118 3KB6 NAD 0.002392 0.41251 3.29341
119 1W6U NAP 0.00000004354 0.61655 3.31126
120 1V6A TRE 0.002033 0.47659 3.31325
121 1UXG NAD 0.0003408 0.40911 3.33333
122 3G2O SAM 0.006401 0.41881 3.34448
123 3WMX NAD 0.0000001239 0.58579 3.35196
124 4IF4 BEF 0.02086 0.41549 3.36538
125 4ZGS NAD 0.000573 0.40742 3.36788
126 3RFV NAI 0.000001337 0.53969 3.37079
127 3RFV 15L 0.0001907 0.45901 3.37079
128 1SB8 NAD 0.000000564 0.45534 3.40909
129 1SB8 UD2 0.0000003672 0.44541 3.40909
130 2VUT NAD 0.009749 0.40432 3.40909
131 1ZEM NAD 0.0000006063 0.55836 3.43511
132 4N9Z V3L 0.002711 0.47978 3.44828
133 3H4V DVP 0.0000003049 0.5688 3.47222
134 3H4V NAP 0.0000003847 0.56335 3.47222
135 1X14 NAD 0.0002972 0.48406 3.49127
136 1V59 NAD 0.01615 0.41393 3.55649
137 1R6D NAD 0.000001929 0.55031 3.56083
138 1R6D DAU 0.000003422 0.5392 3.56083
139 4KOA NDP 0.0003259 0.4822 3.6036
140 2EWM NAD 0.0000005542 0.53988 3.61446
141 2X1L ADN 0.02364 0.40221 3.62595
142 3GEG NAD 0.0000001423 0.57773 3.64372
143 1KYQ NAD 0.001342 0.45375 3.64964
144 2VHW NAI 0.000387 0.41339 3.71353
145 2GDZ NAD 0.0000004845 0.53825 3.74532
146 1P0F NAP 0.001778 0.40536 3.75335
147 3H9E NAD 0.001723 0.42097 3.75723
148 4IJ6 SEP 0.02895 0.41001 3.79147
149 5GT9 NAP 0.00000009893 0.56771 3.80228
150 5F5N NAD 0.0001976 0.43282 3.80623
151 4U7W NDP 0.0000007578 0.52062 3.80952
152 3F81 STT 0.01473 0.40727 3.82514
153 2V6G NAP 0.00000855 0.49568 3.84615
154 5KKA 6V0 0.0003389 0.43771 3.84615
155 4XZ3 COA 0.008212 0.4018 3.87931
156 4D42 NAP 0.00002575 0.50203 3.90071
157 4D42 W0I 0.00002575 0.50203 3.90071
158 1I0Z NAI 0.0007916 0.42536 3.9039
159 2X6T NAP 0.00000009842 0.57302 3.92157
160 4FN4 NAD 0.0000006168 0.54288 3.93701
161 3WCS MAN NAG 0.04311 0.40327 3.93701
162 4ZA2 NAD 0.00000234 0.50945 3.93939
163 5L4S 6KX 0.000009097 0.50443 3.93939
164 5L4S NAP 0.000009097 0.50443 3.93939
165 4RDH AMP 0.02002 0.4024 3.93939
166 1J5P NAD 0.0002514 0.45078 3.95257
167 2Q1S NAI 0.000000624 0.55816 3.97878
168 2CFC NAD 0.0000002332 0.56401 4
169 5L53 NAP 0.00001988 0.45087 4.01235
170 1P77 ATR 0.003467 0.46196 4.04412
171 1NYT NAP 0.001391 0.42774 4.05904
172 5T9F TYR 0.001756 0.41715 4.05904
173 5T9F NAP 0.002364 0.41107 4.05904
174 2BH9 NAP 0.001345 0.45804 4.08998
175 3V1Y NAD 0.0006027 0.43913 4.1543
176 2DTX BMA 0.0000001046 0.51565 4.16667
177 3O26 NDP 0.000001883 0.5162 4.18006
178 5JAQ NAI 0.00007309 0.47252 4.18719
179 5KMS NAD 0.008631 0.40673 4.19753
180 3KMT SAH 0.02253 0.40323 4.20168
181 3HQP FDP 0.03172 0.40277 4.20842
182 1PZG A3D 0.0002157 0.41705 4.22961
183 1NFQ NAI 0.0000000899 0.57136 4.23077
184 1B8U NAD 0.0008232 0.45118 4.25532
185 2I3G NAP 0.0005945 0.42717 4.26136
186 4YMJ 4EJ 0.02533 0.41706 4.27632
187 3HB5 NAP 0.00000126 0.44562 4.28135
188 2DKN NAI 0.00000007875 0.58214 4.31373
189 2A92 NAI 0.0001311 0.44635 4.36137
190 3JQA NAP 0.00000007922 0.58767 4.39394
191 3JQB NAP 0.0000000832 0.58684 4.39394
192 4CLO NAP 0.0000001002 0.58368 4.39394
193 3JQG NAP 0.0000001021 0.58337 4.39394
194 3BMO NAP 0.00000009495 0.57901 4.39394
195 4CM8 NAP 0.00000009512 0.57898 4.39394
196 4CME NAP 0.00000009537 0.57894 4.39394
197 4CM4 NAP 0.00000009791 0.5785 4.39394
198 5JCJ NAP 0.00000009796 0.57849 4.39394
199 5JDC NAP 0.0000001144 0.5759 4.39394
200 4CMI NAP 0.0000001164 0.57561 4.39394
201 3JQ7 NAP 0.000000235 0.56921 4.39394
202 3JQF NAP 0.000000139 0.56735 4.39394
203 3BMQ NAP 0.0000001438 0.56679 4.39394
204 3BMN NAP 0.000000167 0.56433 4.39394
205 3JQ9 NAP 0.0000001845 0.5627 4.39394
206 5JDI NAP 0.00000007591 0.56095 4.39394
207 3JQ8 NAP 0.0000002126 0.56037 4.39394
208 4CLR NAP 0.00000009708 0.55824 4.39394
209 5K6A NAP 0.0000001359 0.55785 4.39394
210 4CM9 NAP 0.0000001368 0.5577 4.39394
211 4CME KTZ 0.009528 0.42945 4.39394
212 5JCJ 6JM 0.01994 0.42136 4.39394
213 3JQB DX6 0.0288 0.41276 4.39394
214 3JQ9 AX1 0.03231 0.40608 4.39394
215 4GLL NAD 0.0000003635 0.53918 4.45104
216 3B1F NAD 0.0001945 0.47421 4.48276
217 3AB4 THR 0.02619 0.41088 4.49438
218 1A27 NAP 0.00002695 0.48087 4.49827
219 2Q0L NAP 0.01146 0.41395 4.50161
220 3WQQ IB3 0.004734 0.40479 4.5082
221 1EQ2 NAP 0.000000393 0.55028 4.51613
222 2PZM UDP 0.0000009969 0.55022 4.54545
223 2BKA NDP 0.000005076 0.51259 4.54545
224 2PZM NAD 0.0000009969 0.46521 4.54545
225 1V35 NAI 0.00003182 0.43068 4.55927
226 3LEK BCW 0.01536 0.43029 4.57516
227 2CVQ NDP 0.001051 0.42355 4.58716
228 3U4C NDP 0.00001258 0.49743 4.62633
229 1O0S NAI 0.004546 0.41261 4.6281
230 2CDU ADP 0.00267 0.4399 4.64602
231 3OID NDP 0.00000007216 0.55774 4.65116
232 3OID TCL 0.0127 0.43185 4.65116
233 1GQ2 NAP 0.001256 0.42056 4.68468
234 3RFA SAM 0.01243 0.40888 4.70297
235 1N7G GDR 0.000001018 0.4224 4.72441
236 4JCA CIT 0.00837 0.45577 4.79042
237 1LDM NAD 0.0007818 0.42557 4.86322
238 1BZL FAD 0.01412 0.41467 4.93827
239 4E13 NAD 0.0000799 0.49534 4.947
240 4OOE NDP 0.002143 0.4172 4.9505
241 2ACV UDP 0.02449 0.40146 4.9676
242 1LLU NAD 0.0003799 0.42069 4.97076
243 3W9F I3P 0.01682 0.41137 5
244 3GM5 CIT 0.03477 0.40932 5.03145
245 2WPF WPF 0.02259 0.40664 5.05051
246 2IZ1 ATR 0.01143 0.43256 5.06329
247 2HK9 ATR 0.0003023 0.50538 5.09091
248 2HK9 NAP 0.0003058 0.45085 5.09091
249 3PUA OGA 0.04161 0.40507 5.10204
250 3BAZ NAP 0.0002805 0.4559 5.1051
251 1DXY NAD 0.001404 0.42452 5.1051
252 1E5Q NDP 0.0006499 0.43157 5.11111
253 1HDG NAD 0.005252 0.40435 5.12048
254 4IDC 1XX 0.003362 0.4017 5.12048
255 4IDC NDP 0.003362 0.4017 5.12048
256 4S1D 41M 0.03091 0.4111 5.14019
257 4KP7 NAP 0.00835 0.4005 5.15223
258 1NVT NAP 0.001518 0.42935 5.22648
259 2JL1 NAP 0.002735 0.4251 5.22648
260 2EB5 OXL 0.01149 0.43555 5.24345
261 2YYY NAP 0.002023 0.4126 5.24781
262 5UAV NDP 0.0002887 0.44581 5.2795
263 5UAV TFB 0.0002887 0.44581 5.2795
264 1GY8 NAD 0.0000001139 0.56543 5.28967
265 1AE1 NAP 0.0000003729 0.53369 5.30303
266 1W0O SIA 0.0263 0.4136 5.30303
267 5LD5 NAD 0.001993 0.42767 5.30726
268 1BW9 NAD 0.000561 0.45453 5.33708
269 1BXG NAD 0.001236 0.42671 5.33708
270 1C1X NAD 0.0007708 0.43488 5.35211
271 2BGM NAJ 0.0000003659 0.56708 5.39568
272 4K26 NDP 0.0000001097 0.56604 5.43478
273 4K26 SFF 0.0000004253 0.49455 5.43478
274 2HNK SAH 0.008367 0.40723 5.43933
275 4YCA NDP 0.004608 0.40396 5.44218
276 4BT5 23B 0.02523 0.41174 5.44747
277 2GCG NDP 0.001047 0.42361 5.45455
278 4E5N NAD 0.001843 0.40888 5.45455
279 2VT3 ATP 0.001229 0.46938 5.5814
280 5L1O 7PF 0.0475 0.40002 5.60606
281 2C29 NAP 0.0000002037 0.48096 5.63798
282 2C29 DQH 0.0000006102 0.46677 5.63798
283 4L8V NAP 0.001141 0.41936 5.63798
284 3OA2 NAD 0.001343 0.41945 5.66038
285 3GGO ENO 0.0007264 0.43637 5.73248
286 4RPL 3UC 0.01065 0.40814 5.90909
287 4RPL FAD 0.01298 0.40276 5.90909
288 4GPS CIT 0.02062 0.41415 5.91017
289 5L4L NAP 0.0000175 0.45999 5.92105
290 5L4L 7OX 0.0008425 0.42933 5.92105
291 1RPN NDP 0.00000004701 0.54282 5.97015
292 4Q9N NAI 0.00002894 0.47599 6.04027
293 5JE8 NAD 0.002741 0.41581 6.06061
294 4BVA NDP 0.001522 0.41197 6.06061
295 3NUG NAD 0.0000001474 0.56127 6.07287
296 1XG5 NAP 0.000003225 0.51143 6.09319
297 3VPH NAD 0.0003878 0.42491 6.12903
298 3VPH OXM 0.0005439 0.41147 6.12903
299 1QG6 TCL 0.00005038 0.48373 6.13027
300 1QG6 NAD 0.00005038 0.41722 6.13027
301 3CM2 X23 0.03747 0.40775 6.15385
302 1CF2 NAP 0.000481 0.41658 6.23145
303 2HMT NAI 0.0006989 0.45045 6.25
304 2GZ3 NAP 0.0003141 0.4242 6.28415
305 2WSB NAD 0.0000004124 0.56062 6.29921
306 1SNY NAP 0.00008461 0.47305 6.36704
307 4CNE SAH 0.007981 0.41445 6.36704
308 1OMO NAD 0.0008268 0.44024 6.52174
309 4MDH NAD 0.0007529 0.43215 6.58683
310 5MDH NAD 0.0009103 0.42892 6.60661
311 5ITV NAI 0.0000002124 0.55537 6.66667
312 4K28 NAD 0.0005998 0.44254 6.69145
313 1LJ8 NAD 0.005573 0.41185 6.69371
314 1M2W NAD 0.005481 0.40919 6.69371
315 1I36 NAP 0.007491 0.40348 6.81818
316 4R1S NAP 0.000000122 0.58605 6.82493
317 3H8V ATP 0.0009185 0.45709 6.84932
318 1KEW TYD 0.000008433 0.4163 6.92521
319 1KEW NAD 0.000007395 0.4151 6.92521
320 1JA9 NDP 0.0000002908 0.54355 6.93431
321 1JA9 PYQ 0.004073 0.45304 6.93431
322 3D3W NAP 0.0000006927 0.5401 6.96721
323 1PR9 NAP 0.0000003005 0.53655 6.96721
324 3A4V NAD 0.00000003912 0.5456 6.9697
325 3A4V PYR 0.00000003912 0.5456 6.9697
326 3RKR NAP 0.003844 0.44946 6.9697
327 4JP3 CIT 0.008706 0.42727 7.11297
328 2DC1 NAD 0.0003721 0.44412 7.12121
329 1O9U ADZ 0.006531 0.43254 7.14286
330 2F1K NAP 0.0003218 0.44997 7.16846
331 1E3I CXF 0.0007297 0.40424 7.18085
332 3LN9 FLC 0.01464 0.43826 7.19424
333 1E3W NAD 0.00000004068 0.58752 7.27969
334 1PL6 NAD 0.0004588 0.46225 7.30337
335 1PL6 572 0.001414 0.40914 7.30337
336 1E6W NAD 0.00000006147 0.58075 7.30769
337 1NVM NAD 0.0023 0.4079 7.37179
338 1FK8 NAD 0.000003866 0.53122 7.393
339 1U1I NAD 0.0009602 0.40762 7.39796
340 1LVL NAD 0.004162 0.42048 7.42358
341 3WXB NDP 0.000001552 0.52325 7.42424
342 4TQG NDP 0.00000002087 0.6043 7.43034
343 1C5C TK4 0.03452 0.40956 7.44186
344 2Q2V NAD 0.0000006864 0.54025 7.45098
345 4XB2 NDP 0.00003651 0.44618 7.46269
346 4XB2 HSE 0.0002112 0.44539 7.46269
347 3HCH RSM 0.04328 0.40381 7.53425
348 1XSE NDP 0.00000009874 0.50843 7.57576
349 1O5I NAD 0.001924 0.43873 7.63052
350 2NU8 COA 0.0006737 0.43721 7.63889
351 4QED NAP 0.000001028 0.53449 7.66129
352 5L8L ADP 0.02182 0.41111 7.69231
353 1N5D NDP 0.000004304 0.50677 7.72727
354 1O6Z NAD 0.001685 0.42749 7.92079
355 2HJR APR 0.00003359 0.5021 7.92683
356 1O94 ADP 0.004675 0.4092 7.95455
357 5GZ6 NDP 0.01157 0.40105 7.97546
358 2DT5 NAD 0.0008103 0.42789 8.05687
359 2VYN NAD 0.001517 0.41741 8.1571
360 3TWO NDP 0.0008359 0.40558 8.33333
361 4DPL NAP 0.001373 0.41632 8.35655
362 1U7T NAD 0.000000135 0.57863 8.42912
363 1U7T TDT 0.0000000954 0.50809 8.42912
364 2HYV UAP SGN IDS SGN IDS 0.009394 0.44152 8.44156
365 1VL8 NAP 0.0000000875 0.55512 8.48485
366 1OAA OAA 0.000003423 0.45183 8.49421
367 4YSX FAD 0.004858 0.40336 8.52713
368 1D1T NAD 0.0006061 0.42242 8.57909
369 5CAE COA 0.0001574 0.46992 8.60759
370 5CAE SIN 0.0008966 0.41145 8.60759
371 1R37 NAD 0.001544 0.4002 8.64553
372 3KO8 NAD 0.00000008038 0.56295 8.65385
373 4J7U YTZ 0.000007564 0.51456 8.68056
374 4J7U NAP 0.000007564 0.51456 8.68056
375 1ORR NAD 0.00000004596 0.56395 8.78788
376 1Z6Z NAP 0.00000597 0.50561 8.86525
377 3ZV6 NAD 0.000008223 0.45102 8.8968
378 3ZV6 4HB 0.000008902 0.44628 8.8968
379 2JAP NDP 0.000002787 0.51379 8.90688
380 2JAH NDP 0.000006019 0.50135 8.90688
381 3A28 NAD 0.000001953 0.52396 8.91473
382 2AG5 NAD 0.000003498 0.51439 8.94309
383 1BXK NAD 0.0000004048 0.5548 9.01408
384 2B4Q NAP 0.000004685 0.50959 9.05797
385 1WMA NDP 0.00004023 0.42152 9.05797
386 1WMA AB3 0.00004023 0.42152 9.05797
387 2Q46 NAP 0.0000004232 0.55406 9.09091
388 5U5G NAP 0.001977 0.40268 9.15254
389 2YVJ NAI 0.01502 0.40192 9.17431
390 1TDF NAP 0.01644 0.40202 9.17722
391 3OJF NDP 0.00001635 0.4651 9.33852
392 3OJF IMJ 0.00001796 0.43887 9.33852
393 4ETZ C2E 0.04381 0.40382 9.42761
394 3RJ5 NAD 0.000006754 0.46442 9.44882
395 1VKF CIT 0.04693 0.40195 9.57447
396 1HDO NAP 0.000001925 0.50136 9.70874
397 2PV7 NAD 0.001168 0.42469 9.73154
398 3B20 NAD 0.005681 0.4057 9.73451
399 1IY8 NAD 0.0000001151 0.56527 9.84848
400 1YS4 NAP 0.003551 0.42024 9.88701
401 2Q1W NAD 0.0000002026 0.54858 9.90991
402 3ORF NAD 0.000008929 0.50316 9.96016
403 2JFV FLC 0.02932 0.41212 9.96564
404 2FOI JPA 0.01995 0.4131 10
405 1LTH NAD 0.00033 0.45668 10.0313
406 1D7O NAD 0.0000149 0.45667 10.101
407 4OSP NAP 0.0000003069 0.55942 10.2662
408 5THQ NDP 0.000000049 0.5741 10.2941
409 2BOS GLA GAL 0.00467 0.44492 10.2941
410 2BOS GLA GAL GLC 0.004902 0.44286 10.2941
411 2BOS GLA GAL GLC NBU 0.01661 0.42882 10.2941
412 1WDK NAD 0.00003672 0.50048 10.303
413 2WYV NAD 0.00001577 0.48966 10.3448
414 1I2B UPG 0.006655 0.43703 10.396
415 1I2B USQ 0.006655 0.43703 10.396
416 1I2B NAD 0.000002841 0.41645 10.396
417 3AQV TAK 0.009996 0.4133 10.5072
418 1EK6 NAI 0.000001356 0.42576 10.6322
419 1EK6 UPG 0.0000007377 0.42333 10.6322
420 1GV0 NAD 0.0003559 0.43849 10.6452
421 1EZ4 NAD 0.0001108 0.43833 10.6918
422 4BQS K2Q 0.02881 0.40871 10.7955
423 5EPO NAP 0.000006432 0.49658 11.0687
424 2WZ5 MET 0.04654 0.40824 11.1111
425 2ZAT NAP 0.000001359 0.52991 11.2121
426 3V1U NAD 0.000000303 0.57598 11.2554
427 4PVD NDP 0.000002692 0.49636 11.4035
428 5TH5 MET 0.03296 0.40959 11.4068
429 1LSS NAD 0.0003842 0.46561 11.4286
430 3CH6 NAP 0.0000005733 0.57933 11.5385
431 3CH6 311 0.0000005733 0.41578 11.5385
432 4C2W ANP 0.02841 0.40523 11.5385
433 4KWI NAP 0.0000004832 0.4899 11.7871
434 4KWI 1TJ 0.0000005296 0.48394 11.7871
435 3AY6 NAI 0.0000009709 0.49694 11.8959
436 3AY6 BGC 0.000002792 0.43435 11.8959
437 5T2U NAP 0.0000005099 0.5451 12.2727
438 4R5M NAP 0.0008046 0.42801 12.766
439 4R5M 4NO 0.001149 0.41652 12.766
440 4M1U A2G MBG 0.01017 0.43946 12.8571
441 3TN7 NJP 0.00000868 0.49544 13.2296
442 1UDB NAD 0.0000001553 0.45677 13.9053
443 1JAY NAP 0.001724 0.43368 14.1509
444 3AFN NAP 0.0000005785 0.54304 14.3411
445 1X1T NAD 0.000001844 0.50823 14.6154
446 1Q7B NAP 0.000000638 0.54233 14.7541
447 1H5Q NAP 0.00000003427 0.58484 15.4717
448 1Y1P NMN AMP PO4 0.000009196 0.52571 15.4971
449 1GZ6 NAI 0.00000109 0.52895 15.674
450 4CQM NAP 0.00000003256 0.59118 15.9836
451 3SJU NDP 0.0000001569 0.56026 16.129
452 1ZBQ NAD 0.0000004031 0.53818 16.208
453 1FQJ ALF 0.01815 0.42499 16.3265
454 1FQK ALF 0.0459 0.40325 16.3265
455 3CBG SAH 0.01033 0.41263 16.3793
456 1OC2 NAD 0.000005019 0.40821 16.6667
457 1OC2 TDX 0.000005019 0.40821 16.6667
458 1ZK4 NAP 0.0000006571 0.50682 16.7331
459 3O03 NAP 0.0000001042 0.58878 16.8385
460 2FR1 NDP 0.0000000007526 0.63712 16.8724
461 2OOR NAD 0.0006939 0.45058 17.2414
462 2OOR TXP 0.003492 0.40608 17.2414
463 4J1Q NDP 0.000000000161 0.64992 17.4569
464 4HXY NDP 0.000000000005252 0.72671 17.5799
465 4HXY ACA 0.004699 0.42435 17.5799
466 4NBU NAI 0.00000003837 0.58301 18
467 3QV1 NAD 0.0009172 0.40345 18.2927
468 1G0N PHH 0.0000008684 0.54964 18.3746
469 1G0N NDP 0.0000006958 0.54869 18.3746
470 1U0J ADP 0.04004 0.40116 18.7266
471 2AE2 PTO 0.0000001125 0.58241 18.8462
472 2AE2 NAP 0.0000001125 0.58241 18.8462
473 3SJ7 NDP 0.00000006645 0.58497 19.4444
474 4NBW NAD 0.00000008042 0.58742 20.6226
475 2RH4 EMO 0.0000003502 0.47341 20.9386
476 1GUZ NAD 0.0002541 0.43401 20.9677
477 2BD0 NAP 0.0000008349 0.52687 21.3115
478 4YAG NAI 0.00000585 0.5189 21.4533
479 3MJE NDP 0.00000000001956 0.71297 21.5726
480 4NBT NAD 0.0000001065 0.57709 22.5
481 1XHL NDP 0.000001021 0.53192 23.569
482 3VZS NAP 0.00000004262 0.50249 24.1245
483 3VZS CAA 0.0000001738 0.42414 24.1245
484 1EDO NAP 0.0000001313 0.55594 25.8197
485 3B1J NAD 0.003085 0.40301 28
486 1UAY ADN 0.00108 0.46722 28.0992
487 4FC7 COA 0.00000005992 0.59628 31.4079
488 4FC7 NAP 0.00000005992 0.50639 31.4079
Pocket No.: 3; Query (leader) PDB : 4PIV; Ligand: 2W4; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 4piv.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YNU FAD 0.01484 0.41833 3.15236
2 5JDC 6JP 0.01803 0.40166 4.39394
3 1VKF CIT 0.02093 0.40222 9.57447
Pocket No.: 4; Query (leader) PDB : 4PIV; Ligand: NDP; Similar sites found: 49
This union binding pocket(no: 4) in the query (biounit: 4piv.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PS9 NAP 0.003043 0.40089 1.51515
2 1PN0 FAD 0.005134 0.41609 1.81818
3 1PN0 IPH 0.005388 0.41606 1.81818
4 2BRY FAD 0.0057 0.4002 2.21328
5 4XUC SAM 0.005929 0.4007 2.29358
6 4XUC 43G 0.005929 0.4007 2.29358
7 5M67 NAD 0.01036 0.40422 2.29645
8 5M67 3D1 0.01093 0.40324 2.29645
9 4J4H NAI 0.03562 0.41737 2.3166
10 4J4H 1J1 0.005436 0.4142 2.3166
11 2O4C NAD 0.002379 0.4126 2.36842
12 3NJ4 AFX 0.02837 0.41339 2.42424
13 3NJ4 NAD 0.03058 0.41188 2.42424
14 3CGD COA 0.0252 0.40324 2.42424
15 3CGD FAD 0.0252 0.40324 2.42424
16 4X9M FAD 0.005018 0.41005 2.63158
17 3OND ADN 0.009571 0.40484 2.66393
18 4MO2 FDA 0.005895 0.40413 2.71739
19 4PZ6 GMP 0.02384 0.41451 2.72953
20 1MO9 FAD 0.01445 0.41447 3.05927
21 1MO9 KPC 0.02112 0.40765 3.05927
22 5FJN BE2 0.01013 0.40215 3.07018
23 5FJN FAD 0.008734 0.40215 3.07018
24 1US5 GLU 0.02339 0.40225 3.18471
25 5O4J PJL 0.00508 0.40218 3.28467
26 5O4J 9KH 0.005739 0.40126 3.28467
27 5O4J SAH 0.005739 0.40126 3.28467
28 4OPC FDA 0.01877 0.41586 3.31126
29 3UCL FAD 0.01515 0.4069 3.31588
30 5J60 FAD 0.007529 0.40289 3.4375
31 5FCF GLY GLY GLY 0.04483 0.40342 3.63636
32 2FKA BEF 0.03119 0.41197 3.87597
33 1E1M FAD 0.008027 0.41196 3.91304
34 5T9E NAP 0.001762 0.41042 4.05904
35 3LAD FAD 0.004705 0.41314 4.20168
36 2WPF FAD 0.01306 0.42212 5.05051
37 4EIP K2C 0.006177 0.4119 5.15152
38 4EIP FAD 0.006177 0.4119 5.15152
39 4KP7 1UQ 0.007534 0.4057 5.15223
40 5U8U FAD 0.01574 0.40618 5.1975
41 3HVJ 705 0.005834 0.40212 5.42986
42 4BV6 FAD 0.008785 0.40111 5.67951
43 5L95 AMP 0.0006323 0.40406 8.75
44 4YEE 4CQ 0.03513 0.40572 8.88889
45 1GAD NAD 0.002642 0.40375 9.69697
46 2CDC NAP 0.009207 0.41626 20.765
47 2WEL K88 0.02618 0.41186 22.3242
48 2P3I MNA 0.01675 0.43025 24.2236
49 1UO4 PIH 0.03279 0.40391 44.1176
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