Receptor
PDB id Resolution Class Description Source Keywords
4CQM 2.34 Å EC: 1.1.1.62 CRYSTAL STRUCTURE OF HETEROTETRAMERIC HUMAN KETOACYL REDUCTASE COMPLEXED WITH NAD AND NADP HOMO SAPIENS OXIDOREDUCTASE KAR KETOACYL REDUCTASE 3-KETOACYL-ACP REDUKE6 HSD8 17-BETA HYDROXYSTEROID DEHYDROGENASE HSD17B8 3HYDROXYACYL-COA DEHYDROGENASE CBR4 CARBOBYL REDUCTASE TYPNADH NADP NADPH HETERO TETRAMER
Ref.: INSIGHTS INTO MITOCHONDRIAL FATTY ACID SYNTHESIS FR STRUCTURE OF HETEROTETRAMERIC 3-KETOACYL-ACP REDUCT HYDROXYACYL-COA DEHYDROGENASE. NAT.COMMUN. V. 5 4805 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO L:401;
M:402;
D:401;
P:401;
F:401;
E:402;
I:403;
I:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAP L:301;
I:301;
N:301;
B:301;
C:301;
K:301;
P:301;
J:301;
G:301;
A:301;
F:301;
E:301;
O:301;
D:301;
M:301;
H:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 26.8 uM
743.405 C21 H28 N7 O17 P3 c1cc(...
GOL A:401;
E:401;
M:401;
I:401;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT P:501;
M:501;
H:501;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CQM 2.34 Å EC: 1.1.1.62 CRYSTAL STRUCTURE OF HETEROTETRAMERIC HUMAN KETOACYL REDUCTASE COMPLEXED WITH NAD AND NADP HOMO SAPIENS OXIDOREDUCTASE KAR KETOACYL REDUCTASE 3-KETOACYL-ACP REDUKE6 HSD8 17-BETA HYDROXYSTEROID DEHYDROGENASE HSD17B8 3HYDROXYACYL-COA DEHYDROGENASE CBR4 CARBOBYL REDUCTASE TYPNADH NADP NADPH HETERO TETRAMER
Ref.: INSIGHTS INTO MITOCHONDRIAL FATTY ACID SYNTHESIS FR STRUCTURE OF HETEROTETRAMERIC 3-KETOACYL-ACP REDUCT HYDROXYACYL-COA DEHYDROGENASE. NAT.COMMUN. V. 5 4805 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4CQM Kd = 26.8 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: 564
This union binding pocket(no: 1) in the query (biounit: 4cqm.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DCP HBI 0.02858 0.40829 None
2 1VE3 SAM 0.005873 0.41922 1.32159
3 1OC2 NAD 0.00000009467 0.44594 2.04918
4 1OC2 TDX 0.00000009467 0.44594 2.04918
5 4XUC SAM 0.003083 0.4068 2.29358
6 4XUC 43G 0.003083 0.4068 2.29358
7 1X87 NAD 0.0002237 0.42295 2.29885
8 1X9I G6Q 0.02037 0.40771 2.45902
9 4ZBY URA 0.02891 0.4127 2.57732
10 4JNJ BTN 0.01134 0.41652 2.6087
11 1SQF SAM 0.00154 0.44552 2.86885
12 3OA2 NAD 0.0004083 0.43784 2.86885
13 1G55 SAH 0.002244 0.43439 2.86885
14 1V8B NAD 0.0009456 0.42899 2.86885
15 5IN4 NAP 0.000005112 0.59232 3.06513
16 5IN4 6CK 0.000005003 0.59232 3.06513
17 5IN4 GDP 0.000005604 0.58918 3.06513
18 1LTH NAD 0.000007388 0.52286 3.06513
19 1P31 EPU 0.005693 0.41983 3.06513
20 2AQJ FAD 0.008483 0.40992 3.06513
21 2AQJ TRP 0.008163 0.40992 3.06513
22 2GMM MAN MAN 0.02602 0.41588 3.1746
23 1Q8S MAN MMA 0.03793 0.4063 3.1746
24 1BZL FAD 0.01768 0.41243 3.27869
25 3WQQ IB3 0.003596 0.41185 3.27869
26 5TTJ FAD 0.003594 0.40982 3.27869
27 4KP7 NAP 0.007329 0.40498 3.27869
28 1IM8 SAI 0.009873 0.40283 3.27869
29 4KP7 1UQ 0.007737 0.40056 3.27869
30 4YMH SAH 0.004337 0.41839 3.33333
31 4MDH NAD 0.0002763 0.44764 3.44828
32 5MDH NAD 0.0001427 0.44407 3.44828
33 4J36 FAD 0.0009048 0.42591 3.44828
34 1GR0 NAD 0.001172 0.42292 3.44828
35 4J36 1HR 0.00224 0.42195 3.44828
36 3P2E SAH 0.003223 0.424 3.55556
37 3ABI NAD 0.00001499 0.48873 3.68852
38 2UYQ SAM 0.004829 0.45136 3.68852
39 1WP4 NDP 0.0002477 0.44949 3.68852
40 2JJQ SAH 0.002921 0.44497 3.68852
41 5UAV TFB 0.0003745 0.44454 3.68852
42 5UAV NDP 0.0003745 0.44454 3.68852
43 1X7D ORN 0.0004054 0.44447 3.68852
44 1X7D NAD 0.0001944 0.44321 3.68852
45 2CDU FAD 0.0004371 0.44194 3.68852
46 5U5G NAP 0.0003202 0.43539 3.68852
47 1DSS NAD 0.0001682 0.43499 3.68852
48 2CVZ NDP 0.001035 0.42836 3.68852
49 2VVM FAD 0.001703 0.42359 3.68852
50 1LVL NAD 0.003355 0.42324 3.68852
51 5BUK FAD 0.002638 0.42009 3.68852
52 3PLN U5P 0.03245 0.40881 3.68852
53 4BVA NDP 0.002832 0.40442 3.68852
54 3GDH SAH 0.001633 0.42666 3.73444
55 1SB8 UD2 0.000000006306 0.6545 3.83142
56 1SB8 NAD 0.000000008365 0.64358 3.83142
57 1UXG NAD 0.00001427 0.5023 3.83142
58 3A25 SAM 0.004246 0.4256 3.83142
59 1UXG FUM 0.009339 0.41985 3.83142
60 1TUU ADP 0.02118 0.41877 3.83142
61 2DFV NAD 0.0007644 0.41795 3.83142
62 1REO FAD 0.003436 0.41058 3.83142
63 1TUU AMP 0.03274 0.40463 3.83142
64 1OMO NAD 0.0009595 0.40386 3.83142
65 3CBG SAH 0.009496 0.41308 3.87931
66 4TQG NDP 0.000000003774 0.61845 4.09836
67 1V6A TRE 0.0003015 0.51918 4.09836
68 9LDT NAD 0.00001966 0.48605 4.09836
69 9LDB NAD 0.00001913 0.47872 4.09836
70 4NEC SAH 0.0006764 0.4707 4.09836
71 2PT9 2MH 0.0007726 0.42985 4.09836
72 1I8T FAD 0.001361 0.42633 4.09836
73 5JY6 NAD 0.002421 0.42608 4.09836
74 2I3G NAP 0.0009527 0.41663 4.09836
75 1YJQ NAP 0.001993 0.41281 4.09836
76 3OJO NAD 0.0004673 0.41275 4.09836
77 2I7C AAT 0.00086 0.41049 4.09836
78 5GM1 SAH 0.007149 0.40307 4.09836
79 2PT9 S4M 0.001341 0.4027 4.09836
80 3LST SAH 0.0221 0.40246 4.09836
81 3OFK SAH 0.005248 0.41168 4.16667
82 1QSC ACE TYR PRO ILE GLN GLU THR 0.01742 0.40748 4.18848
83 2HJR APR 0.000002072 0.55096 4.21456
84 5T9E NAP 0.0001962 0.43464 4.21456
85 2CVQ NDP 0.0004977 0.43455 4.21456
86 4E13 NAD 0.0001397 0.42155 4.21456
87 2GK6 ADP 0.02753 0.41266 4.21456
88 1H6C SIN 0.005462 0.4027 4.21456
89 5KAX RHQ 0.03993 0.40395 4.21687
90 2C5A NAD 0.000000008278 0.48018 4.5082
91 2C5A GDC 0.000000008278 0.48018 4.5082
92 1GUZ NAD 0.00002018 0.47975 4.5082
93 1O6Z NAD 0.00006583 0.443 4.5082
94 1VKO NAD 0.000138 0.44225 4.5082
95 3GD4 NAD 0.007808 0.41946 4.5082
96 3GD4 FAD 0.004792 0.41946 4.5082
97 4DPL NAP 0.001749 0.41096 4.5082
98 1N4W FAD 0.004638 0.4094 4.5082
99 4GUT FAD 0.00595 0.40777 4.5082
100 4FWE FAD 0.005852 0.40539 4.5082
101 1F8F NAD 0.004948 0.4041 4.5082
102 1Q9I TEO 0.01314 0.40069 4.5082
103 5E8J SAH 0.0002078 0.50026 4.54545
104 3MQ2 SAH 0.005272 0.42491 4.58716
105 1KEW TYD 0.00000005123 0.61483 4.5977
106 1KEW NAD 0.0000001581 0.5964 4.5977
107 3B1F NAD 0.0002019 0.47196 4.5977
108 4L8V NAP 0.0003229 0.43857 4.5977
109 3CGD COA 0.004669 0.43066 4.5977
110 3CGD FAD 0.004669 0.43066 4.5977
111 3CGD NAD 0.004669 0.43066 4.5977
112 1E5Q NDP 0.0006698 0.42961 4.5977
113 1PL6 572 0.000688 0.42908 4.5977
114 2RAB NAD 0.004532 0.42523 4.5977
115 3L4S NAD 0.001102 0.4213 4.5977
116 5J60 FAD 0.001949 0.42129 4.5977
117 1YKJ PHB 0.005134 0.421 4.5977
118 1YKJ FAD 0.005134 0.421 4.5977
119 3L4S 3PG 0.001225 0.42088 4.5977
120 1PL6 NAD 0.0002463 0.41056 4.5977
121 3TLJ SAH 0.006135 0.40585 4.5977
122 2RAB FAD 0.006184 0.40534 4.5977
123 1HYE NAP 0.0008428 0.40161 4.5977
124 1C3V NDP 0.002166 0.4031 4.89796
125 1ORR NAD 0.000000001987 0.64181 4.91803
126 4D3F NAP 0.00005755 0.43585 4.91803
127 5HJM MTA 0.002431 0.43286 4.91803
128 4USQ FAD 0.00404 0.40229 4.91803
129 3UCL NAP 0.01873 0.4005 4.91803
130 3UCL FAD 0.01717 0.40034 4.91803
131 3UCL CYH 0.01717 0.40034 4.91803
132 2OBF SAH 0.007481 0.40023 4.91803
133 2OBF F83 0.007481 0.40023 4.91803
134 2PZM UDP 0.000002074 0.54221 4.98084
135 2PZM NAD 0.000002074 0.54221 4.98084
136 1T26 NAI 0.0001612 0.46613 4.98084
137 4DSG FAD 0.00291 0.42985 4.98084
138 4DSG UDP 0.00291 0.42985 4.98084
139 3SSO SAH 0.002719 0.42721 4.98084
140 3OND ADN 0.00251 0.4237 4.98084
141 5G3U ITW 0.002396 0.42175 4.98084
142 5G3U FDA 0.002102 0.41785 4.98084
143 1B8U NAD 0.0003063 0.4076 4.98084
144 1B8U OAA 0.002696 0.40654 4.98084
145 2NVK FAD 0.005302 0.40519 4.98084
146 4C3Y ANB 0.008959 0.40063 4.98084
147 4CJX NAP 0.001685 0.40023 4.98084
148 3KO8 NAD 0.0000000004255 0.63947 5.32787
149 1GV0 NAD 0.00001254 0.49165 5.32787
150 4XQC 13D 0.0002828 0.45868 5.32787
151 4XQC NAD 0.0002736 0.45816 5.32787
152 4RDH AMP 0.001316 0.45707 5.32787
153 4YCA NDP 0.0006528 0.43629 5.32787
154 1U3U NAD 0.0009558 0.43559 5.32787
155 1U3U BNF 0.0009558 0.43559 5.32787
156 2DKH FAD 0.0009906 0.42441 5.32787
157 5UAO FAD 0.001733 0.42111 5.32787
158 3JV7 NAD 0.001042 0.41942 5.32787
159 2DKH 3HB 0.002083 0.41909 5.32787
160 5JJR SAH 0.007408 0.41465 5.32787
161 4D79 ATP 0.000291 0.40267 5.32787
162 3H9E NAD 0.0002874 0.4504 5.36398
163 4MO2 FDA 0.001526 0.42212 5.36398
164 1YY5 FAD 0.002973 0.41802 5.36398
165 5EZ7 FAD 0.004472 0.4061 5.36398
166 1GQ2 NAP 0.002774 0.40598 5.36398
167 3FUU ADN 0.005199 0.41822 5.53506
168 4GLL NAD 0.0000000042 0.62714 5.7377
169 2V6G NAP 0.000000912 0.53646 5.7377
170 4J4H 1J1 0.002017 0.42661 5.7377
171 4J4H NAI 0.002017 0.42661 5.7377
172 3BAZ NAP 0.001439 0.42574 5.7377
173 4JK3 NAD 0.0005548 0.41961 5.7377
174 2Z9I GLY ALA THR VAL 0.0236 0.41604 5.7377
175 4A6D SAM 0.01004 0.40553 5.7377
176 5T9F TYR 0.0001124 0.46609 5.74713
177 5T9F NAP 0.0001442 0.46056 5.74713
178 4YUW 4JU 0.01764 0.41456 5.74713
179 4REP FAD 0.004072 0.4077 5.74713
180 4YUW S4M 0.02669 0.40617 5.74713
181 2EG5 SAH 0.02169 0.40286 5.74713
182 5FI3 NAP 0.002918 0.40258 5.74713
183 2B9J ADP 0.01959 0.40167 5.74713
184 1RL4 BRR 0.03339 0.40419 5.85106
185 3WMX NAD 0.00000005772 0.59678 6.13027
186 4PVD NDP 0.00000004412 0.56699 6.13027
187 2FZW NAD 0.0007277 0.44132 6.13027
188 1E1M FAD 0.004233 0.41867 6.13027
189 2Q1W NAD 0.000000154 0.5488 6.14754
190 1MUU NAD 0.0005947 0.44122 6.14754
191 1QAN SAH 0.00144 0.43562 6.14754
192 2VHW NAI 0.0007695 0.43245 6.14754
193 5FTW SAH 0.002084 0.43222 6.14754
194 4MP8 NAD 0.001434 0.42317 6.14754
195 3A4T SFG 0.003531 0.41902 6.14754
196 1XHC FAD 0.001914 0.41715 6.14754
197 1H9A NAP 0.002547 0.40998 6.14754
198 1QO8 FAD 0.006728 0.40205 6.14754
199 5X20 NAD 0.001558 0.40041 6.14754
200 2BKA NDP 0.000000195 0.5544 6.19835
201 3MB5 SAM 0.0008703 0.44134 6.27451
202 3KB6 NAD 0.002231 0.40135 6.28743
203 1P77 ATR 0.0002128 0.52489 6.51341
204 3BOF HCS 0.02155 0.41961 6.51341
205 1Q8A HCS 0.02718 0.4145 6.51341
206 3UOY FAD 0.01131 0.40917 6.51341
207 3UOY NAP 0.01131 0.40917 6.51341
208 1U8X NAD 0.003402 0.40788 6.51341
209 2WPF WPF 0.02763 0.40469 6.51341
210 2WPF FAD 0.02832 0.40298 6.51341
211 1I2B NAD 0.0000002069 0.59544 6.55738
212 1EQ2 NAP 0.00000147 0.52667 6.55738
213 1I2B USQ 0.001903 0.46369 6.55738
214 1I2B UPG 0.001903 0.46369 6.55738
215 1NYT NAP 0.0002627 0.45552 6.55738
216 4GKV NAD 0.00003437 0.45299 6.55738
217 2A92 NAI 0.0002976 0.4429 6.55738
218 2JHF NAD 0.00693 0.44136 6.55738
219 1MV8 NAD 0.0001448 0.44037 6.55738
220 1PZG A3D 0.00007689 0.42818 6.55738
221 5HSA FAS 0.001792 0.42377 6.55738
222 3EGV SAH 0.01417 0.40502 6.55738
223 2DBZ NAP 0.002132 0.40486 6.58683
224 3LU1 NAD 0.000000001134 0.64379 6.59341
225 3BU1 HSM 0.01515 0.42973 6.75676
226 1VL0 NAI 0.0000000004442 0.63174 6.84932
227 3H8V ATP 0.0001422 0.41336 6.84932
228 1Y1P NMN AMP PO4 0.0000004798 0.51685 6.89655
229 5JAQ NAI 0.00003564 0.48817 6.89655
230 1NVM NAD 0.001099 0.4144 6.89655
231 2E5V FAD 0.00489 0.40849 6.89655
232 5JCM FAD 0.01438 0.40296 6.89655
233 5JCM ISD 0.01487 0.40296 6.89655
234 5JCM NAD 0.01487 0.40296 6.89655
235 3S1S SAH 0.007405 0.40243 6.89655
236 1JQ3 AAT 0.001771 0.40023 6.89655
237 3CIF NAD 0.0001833 0.44457 6.96379
238 3CIF G3H 0.001213 0.4236 6.96379
239 4R1S NAP 0.000000001397 0.66076 6.96721
240 1N7G NDP 0.0000006097 0.58998 6.96721
241 1N7G GDR 0.0000007842 0.57298 6.96721
242 1SOW NAD 0.00003071 0.48038 6.96721
243 3T31 FAD 0.0008732 0.44746 6.96721
244 3T31 DCQ 0.0009637 0.44735 6.96721
245 1RYI FAD 0.003121 0.41428 6.96721
246 5VN0 NAI 0.003892 0.40556 6.96721
247 1OBB NAD 0.006739 0.40136 6.96721
248 1S7G APR 0.002546 0.40875 7.11462
249 2DC1 NAD 0.0004605 0.42687 7.20339
250 3I6B KDO 0.03302 0.40841 7.22222
251 2EV9 SKM 0.001021 0.42256 7.22433
252 2EV9 NAP 0.001021 0.42256 7.22433
253 1GY8 NAD 0.00000003186 0.58092 7.27969
254 1LDM NAD 0.00002425 0.48088 7.27969
255 4RSL FAD 0.0001619 0.45861 7.27969
256 4OOE NDP 0.0009097 0.43058 7.27969
257 2V3A FAD 0.002981 0.41193 7.27969
258 1HDO NAP 0.0000008013 0.51123 7.28155
259 2X6T NAP 0.0000005598 0.54246 7.37705
260 2GZ3 NAP 0.0002394 0.46569 7.37705
261 1R37 NAD 0.00036 0.44256 7.37705
262 3CMC NAD 0.001775 0.44227 7.37705
263 3VYW SAM 0.007969 0.40689 7.37705
264 3QVP FAD 0.00645 0.40371 7.37705
265 1A5Z NAD 0.000008325 0.53091 7.52351
266 4PLG NAI 0.00005721 0.47746 7.66284
267 1UWK NAD 0.000341 0.45649 7.66284
268 4PLG OXM 0.006813 0.42471 7.66284
269 5M67 ADE 0.00253 0.42444 7.66284
270 5M67 NAD 0.00262 0.42383 7.66284
271 5M67 3D1 0.002869 0.42224 7.66284
272 2R4J 13P 0.004089 0.4185 7.66284
273 2YY7 NAD 0.000000004992 0.62197 7.78689
274 5MSO NAP 0.00000003194 0.57314 7.78689
275 2P41 SAH 0.005886 0.41918 7.78689
276 4M73 SAH 0.001969 0.41668 7.78689
277 1RSG FAD 0.003568 0.41296 7.78689
278 3KLJ FAD 0.0009457 0.40753 7.78689
279 1SC6 NAD 0.003795 0.40089 7.78689
280 2GVC FAD 0.004281 0.40013 7.78689
281 1EK6 NAI 0.0000000307 0.62794 8.04598
282 1EK6 UPG 0.0000001595 0.60129 8.04598
283 1EZ4 NAD 0.00009959 0.44632 8.04598
284 4R5M NAP 0.001384 0.41755 8.04598
285 4MIG G3F 0.004237 0.41541 8.04598
286 4R5M 4NO 0.001798 0.40651 8.04598
287 1PS9 FAD 0.0057 0.40395 8.04598
288 5L4S 6KX 0.00000000007195 0.70637 8.19672
289 5L4S NAP 0.00000000007195 0.70637 8.19672
290 4U7W NDP 0.00000001635 0.58901 8.19672
291 4EUE NAI 0.000001535 0.52979 8.19672
292 3WLE NAD 0.0009544 0.42884 8.19672
293 1SAY PYR 0.0009429 0.42653 8.19672
294 2YVJ NAI 0.001818 0.44226 8.25688
295 3AB4 THR 0.02828 0.40417 8.42697
296 2Q1S NAI 0.0000006103 0.56327 8.42912
297 1LDN NAD 0.00002288 0.48355 8.42912
298 5IL1 SAM 0.002373 0.43703 8.42912
299 2Q0L NAP 0.01439 0.40802 8.42912
300 2IZ1 ATR 0.002305 0.46502 8.60656
301 3GGO NAI 0.000184 0.4627 8.60656
302 3GGO ENO 0.000184 0.4627 8.60656
303 2G5C NAD 0.0004077 0.43476 8.60656
304 1UDB NAD 0.00000005278 0.46701 8.81226
305 4K28 NAD 0.0005545 0.44244 8.81226
306 1D4D FAD 0.00542 0.40671 8.81226
307 5I39 FAD 0.005428 0.40177 8.81226
308 5H81 NAP 0.0008665 0.44502 9.01639
309 4RQU NAD 0.0003289 0.44143 9.01639
310 2Y6Q I7T 0.001998 0.42678 9.01639
311 2Y6Q FAD 0.0007911 0.42678 9.01639
312 1ZMD NAI 0.001617 0.4237 9.01639
313 1H82 GZZ 0.004396 0.42312 9.01639
314 1H82 FAD 0.003765 0.42229 9.01639
315 5U8U FAD 0.01508 0.40272 9.01639
316 4QTU SAM 0.001019 0.44958 9.13461
317 3DXY SAM 0.01047 0.42205 9.17431
318 2HYV UAP SGN IDS SGN IDS 0.007243 0.4454 9.1954
319 3VPH NAD 0.000091 0.44342 9.1954
320 1WDK NAD 0.0001267 0.43048 9.1954
321 3VPH OXM 0.0001945 0.42366 9.1954
322 1LLU NAD 0.0007075 0.40839 9.1954
323 3LE7 ADE 0.04011 0.40444 9.1954
324 5FJN BE2 0.006923 0.40427 9.1954
325 5FJN FAD 0.005916 0.40427 9.1954
326 3NTD FAD 0.005644 0.40111 9.1954
327 3EGI ADP 0.01249 0.43103 9.2233
328 4EMJ FAD 0.006131 0.40073 9.34579
329 1VBO MAN MAN MAN 0.04501 0.4016 9.39597
330 4OBW SAM 0.002471 0.43623 9.42623
331 4KOA NDP 0.005459 0.42421 9.42623
332 3GXO SAH 0.02343 0.40122 9.42623
333 1PN0 FAD 0.009267 0.40087 9.42623
334 1PN0 IPH 0.009706 0.40087 9.42623
335 1I0Z NAI 0.00002071 0.48345 9.57854
336 1ZQ9 SAM 0.0008997 0.45606 9.57854
337 2B4R NAD 0.0003322 0.43963 9.57854
338 3NJ4 NAD 0.006333 0.43873 9.57854
339 2B4R AES 0.0009162 0.42153 9.57854
340 3NJ4 AFX 0.01585 0.42087 9.57854
341 2C7G FAD 0.009367 0.40604 9.57854
342 2C7G ODP 0.01023 0.40375 9.57854
343 1M0S CIT 0.02634 0.40959 9.58904
344 2HMT NAI 0.00003858 0.4437 9.72222
345 3O26 NDP 0.000000000006291 0.72866 9.83607
346 5KKA 6V0 0.00001157 0.49648 9.83607
347 1HDG NAD 0.0006498 0.43967 9.83607
348 1J49 NAD 0.0009637 0.41752 9.83607
349 2NU8 COA 0.002099 0.41619 9.83607
350 5JWC FAD 0.002119 0.41426 9.83607
351 1G60 SAM 0.00727 0.41175 9.83607
352 4RPL FAD 0.005392 0.42078 9.96169
353 4RPL 3UC 0.006304 0.41985 9.96169
354 1UP7 NAD 0.001437 0.40234 9.96169
355 5L95 AMP 0.0001434 0.41642 10
356 2PKA BEN 0.04121 0.40355 10
357 4YSX FAD 0.001607 0.42458 10.1064
358 1HYH NAD 0.0001165 0.4498 10.2459
359 2QRK AMP 0.0009832 0.43071 10.2459
360 1D1T NAD 0.0003863 0.42614 10.2459
361 3I6I NDP 0.0001137 0.41926 10.3448
362 5JCA NDP 0.005961 0.41763 10.3448
363 5JCA FAD 0.00272 0.41763 10.3448
364 2NAD NAD 0.002249 0.41327 10.3448
365 1RM4 NDP 0.002009 0.40273 10.3448
366 2DT5 NAD 0.000226 0.44767 10.4265
367 1RPN NDP 0.0000000298 0.54545 10.6557
368 5BVA FAD 0.001981 0.42504 10.6557
369 2XVE FAD 0.007467 0.41289 10.6557
370 4YRY NAD 0.006126 0.41212 10.6557
371 2XVF FAD 0.002831 0.4117 10.6557
372 4YRY FAD 0.004236 0.41001 10.6557
373 1J0X NAD 0.001447 0.42947 10.728
374 1O94 ADP 0.002113 0.42207 10.728
375 2BH9 NAP 0.007364 0.4218 10.728
376 1JAY NAP 0.006651 0.40728 11.3208
377 1LSS NAD 0.00008574 0.43039 11.4286
378 2Q46 NAP 0.0000001325 0.57131 11.4625
379 1E7S NAP 0.00000006068 0.58309 11.4754
380 2EXX NAP 0.0001289 0.45965 11.4754
381 1BW9 NAD 0.000581 0.45241 11.4754
382 1C1X NAD 0.0004711 0.4419 11.4754
383 3A27 SAM 0.004339 0.42518 11.4754
384 5DN9 NAD 0.001659 0.41586 11.4754
385 1BXG NAD 0.0009099 0.41144 11.4754
386 5XVQ SAH 0.005041 0.40943 11.4754
387 3L9W AMP 0.002154 0.40892 11.4754
388 5F5N NAD 0.000006734 0.48928 11.4943
389 3V1Y NAD 0.0001347 0.46344 11.4943
390 1Y8Q ATP 0.001041 0.43468 11.4943
391 2RGO FAD 0.003909 0.40626 11.4943
392 4E5N NAD 0.0009828 0.41599 11.8774
393 3LJU IP9 0.01284 0.42469 11.8852
394 2VYN NAD 0.0007013 0.42275 11.8852
395 1GAD NAD 0.0006953 0.41688 11.8852
396 2QZZ EMF 0.003939 0.40721 11.8852
397 2QZZ NAP 0.003695 0.40721 11.8852
398 3MJE NDP 0.0000000000435 0.69707 11.8952
399 3B1J NAD 0.0006818 0.42636 12.2605
400 4EIP K2C 0.004316 0.41336 12.2605
401 4EIP FAD 0.004316 0.41336 12.2605
402 3B20 NAD 0.0006165 0.4111 12.2605
403 2D2I NAP 0.001211 0.40151 12.2605
404 1H2B NAJ 0.000475 0.41835 12.2951
405 5KMS NAD 0.007492 0.41146 12.2951
406 2FR1 NDP 0.000000001852 0.61675 12.6437
407 1KOL NAD 0.002949 0.40989 12.6437
408 1CER NAD 0.0001241 0.46484 12.6888
409 4XB2 HSE 0.0009924 0.42303 12.7049
410 4XB2 NDP 0.0002865 0.42082 12.7049
411 3A06 FOM 0.002347 0.41373 12.7049
412 3A06 NDP 0.002388 0.41106 12.7049
413 5AYV KPL 0.004026 0.40352 12.7049
414 5AYV NAP 0.000978 0.40184 12.7049
415 3G2O SAM 0.001342 0.44822 12.709
416 3ICT FAD 0.002312 0.41512 13.0268
417 3ICS FAD 0.002811 0.41293 13.0268
418 3ICR FAD 0.002673 0.41267 13.0268
419 2HK9 NAP 0.0003737 0.42637 13.1148
420 2JL1 NAP 0.0001928 0.42074 13.1148
421 3G89 SAM 0.002562 0.44772 13.253
422 1E6E FAD 0.001741 0.41874 13.2812
423 1JNR FAD 0.009919 0.41504 13.3333
424 1WVG APR 0.00000006651 0.55548 13.5246
425 3DMH SAM 0.01001 0.40257 13.5246
426 4X9M FAD 0.00203 0.42059 13.7931
427 5MZI FAD 0.006662 0.41426 13.7931
428 5MZI FYK 0.006922 0.41426 13.7931
429 5JE8 NAD 0.0002778 0.45454 13.9344
430 3ZNN FAD 0.002517 0.43023 13.9344
431 1HDR NAD 0.00004669 0.40135 13.9344
432 1GPE FAD 0.003872 0.41436 14.3443
433 5L4L NAP 0.0000006402 0.51753 14.5594
434 5L4L 7OX 0.00001323 0.50213 14.5594
435 2VDV SAM 0.0005068 0.48162 14.6341
436 3QV1 NAD 0.0002127 0.43054 14.6341
437 2PV7 NAD 0.0001286 0.46058 14.7541
438 2BRY FAD 0.002175 0.41136 14.7541
439 1JG3 ADN 0.01018 0.4084 14.8936
440 3A4V NAD 0.0000000006936 0.59947 14.9425
441 3A4V PYR 0.0000000006936 0.59947 14.9425
442 1V59 FAD 0.005643 0.40782 14.9425
443 4D04 NAP 0.01126 0.40679 15.1639
444 4D04 FAD 0.01126 0.40679 15.1639
445 1NVT NAP 0.00122 0.40021 15.1639
446 4PIV NDP 0.00000003256 0.59118 15.9836
447 3Q87 SAM 0.003747 0.41482 16
448 1BXK NAD 0.00000001371 0.5978 16.092
449 4BQS K2Q 0.02011 0.41571 16.4773
450 4OPC FDA 0.01256 0.41939 16.8033
451 1E3I CXF 0.0002665 0.41586 16.8033
452 2GAG FAD 0.007027 0.40401 17.1717
453 2GAG NAD 0.004765 0.40292 17.1717
454 2GAG FOA 0.007644 0.40254 17.1717
455 2F1K NAP 0.00006501 0.47596 17.623
456 3GFB NAD 0.0009053 0.42758 17.6245
457 5LD5 NAD 0.0002792 0.41917 17.6245
458 4JLS 3ZE 0.02987 0.41163 18.4211
459 3RFV NAI 0.000000003086 0.64035 18.7739
460 3RFV 15L 0.0000002356 0.5726 18.7739
461 1DXY NAD 0.0008581 0.41247 18.7739
462 4DMG SAM 0.009783 0.42351 19.084
463 1O0S NAI 0.001471 0.43181 19.1571
464 3AD8 PYC 0.01208 0.40737 19.1919
465 3AD8 FAD 0.01208 0.40737 19.1919
466 1D7O NAD 0.0000003528 0.50458 19.2623
467 4HXY NDP 0.00000000002392 0.70966 19.863
468 4GGZ BTN 0.0123 0.41859 20
469 1Z45 NAD 0.000000006869 0.61436 20.4918
470 1FK8 NAD 0.000000000006513 0.76199 20.9016
471 1RKX NAD 0.00000000153 0.62917 21.4559
472 1J5P NAD 0.00068 0.43242 21.7391
473 4ZRN NAD 0.000000001649 0.60128 22.1311
474 4ZRN UPG 0.000000013 0.48866 22.1311
475 2C29 NAP 0.00000007844 0.59859 22.9508
476 2C29 DQH 0.0000002254 0.58042 22.9508
477 4KXQ APR 0.005351 0.41132 23.3333
478 1U1I NAD 0.0001697 0.43093 23.4694
479 3WXB NDP 0.00000000001717 0.70066 23.7548
480 4ZGS NAD 0.0002639 0.42393 23.7705
481 4W6Z 8ID 0.0007613 0.43263 24.1803
482 2PK3 A2R 0.0000001444 0.51367 24.2991
483 3RJ5 NAD 0.00000000001141 0.63832 24.8032
484 4IXW IXW 0.03552 0.40277 25.1968
485 1R6D NAD 0.00000005349 0.61812 25.2874
486 1R6D DAU 0.0000001432 0.59944 25.2874
487 4CNK FAD 0.004067 0.40667 25.8197
488 3ORF NAD 0.0000002543 0.5508 27.459
489 4TXI FAD 0.00252 0.40765 28.2787
490 4M38 SAH 0.009893 0.40279 28.5714
491 1XSE NDP 0.00000000007277 0.71272 31.9672
492 4YAG NAI 0.00000000001131 0.74876 32.7869
493 4J1Q NDP 0.0000000008888 0.63526 33.1967
494 1P0F NAP 0.001805 0.41316 33.1967
495 4K26 NDP 0.00000000062 0.64379 33.6066
496 4K26 SFF 0.000000002632 0.55976 33.6066
497 4Q9N NAI 0.0000000781 0.57681 34.0164
498 3CH6 NAP 0.000000002177 0.68435 34.4262
499 3CH6 311 0.000000002177 0.68435 34.4262
500 5GT9 NAP 0.0000000001283 0.68208 35.2459
501 1OAA OAA 0.000000000453 0.55798 35.2459
502 4J7U YTZ 0.000000004141 0.64748 35.6557
503 4J7U NAP 0.000000004141 0.64748 35.6557
504 2F5Z FAD 0.007537 0.40102 35.9375
505 1V35 NAI 0.0000003639 0.48844 36.0656
506 3OJF IMJ 0.00000003675 0.60836 36.8852
507 3OJF NDP 0.00000002553 0.60358 36.8852
508 4D42 W0I 0.00000004998 0.61526 37.9433
509 4D42 NAP 0.00000004998 0.61526 37.9433
510 1WMA AB3 0.0000000003583 0.69136 38.1148
511 1WMA NDP 0.0000000003583 0.69136 38.1148
512 1N5D NDP 0.0000000001299 0.66837 38.1148
513 1Z6Z NAP 0.00000000255 0.63055 38.1148
514 5L53 NAP 0.000000001206 0.59306 38.9344
515 1SNY NAP 0.00000000836 0.5934 39.3443
516 1W8D NAP 0.000000000006213 0.77209 39.7351
517 1W73 NAP 0.00000000001058 0.7626 39.7351
518 4OHU 2TK 0.00000001804 0.64001 39.7541
519 4OHU NAD 0.00000001804 0.64001 39.7541
520 3OIG NAD 0.00000008027 0.56505 40.5738
521 2BD0 NAP 0.00000000000006173 0.7765 41.3934
522 1QG6 TCL 0.0000001024 0.59401 41.8033
523 1QG6 NAD 0.0000001024 0.59401 41.8033
524 5CG1 NAD BBN 0.0000007172 0.58005 41.8033
525 3TN7 NJP 0.00000000000466 0.73651 43.0328
526 4O1M NAD 0.0000001395 0.56516 43.8525
527 2PD4 DCN 0.0000002626 0.56463 43.8525
528 2PD4 NAD 0.0000003164 0.56151 43.8525
529 2WYV NAD 0.000002472 0.51819 44.2623
530 2JAH NDP 0.0000000000005032 0.77306 45.082
531 1W6U NAP 0.000000000005371 0.68781 45.082
532 2BGM NAJ 0.000000000006056 0.70532 45.3237
533 2JAP NDP 0.0000000000002932 0.76464 45.9016
534 4O0L NDP 0.0000000000003219 0.76388 45.9016
535 1XG5 NAP 0.00000000003865 0.68748 45.9016
536 1JA9 NDP 0.0000000000005164 0.77566 45.9854
537 2DKN NAI 0.00000000000001332 0.83905 46.3115
538 3H4V DVP 0.000000005926 0.64133 46.3602
539 3H4V NAP 0.00000001428 0.62452 46.3602
540 2AE2 PTO 0.000000000003405 0.76489 46.5385
541 2AE2 NAP 0.000000000003405 0.76489 46.5385
542 3GEG NAD 0.00000000000713 0.71089 46.5587
543 4FC7 NAP 0.00000000001611 0.7427 46.7213
544 4FC7 COA 0.00000000001611 0.7427 46.7213
545 1BDB NAD 0.00000000009917 0.65316 46.7433
546 1XKQ NDP 0.00000000001461 0.72321 47.1311
547 1PR9 NAP 0.0000000000002278 0.79216 47.9508
548 3D3W NAP 0.0000000000006484 0.77483 47.9508
549 3ZV6 NAD 0.00000000001873 0.60934 47.9508
550 3ZV6 4HB 0.00000000002118 0.60065 47.9508
551 3AI3 SOL 0.01478 0.42713 47.9508
552 1NFQ NAI 0.000000000000007994 0.84435 48.0769
553 2Q2V NAD 0.0000000000003849 0.78347 48.2353
554 1ZBQ NAD 0.000000000004084 0.71116 48.2759
555 3SJU NDP 0.00000000000002953 0.80133 48.3607
556 3U4C NDP 0.0000000002953 0.65862 48.3607
557 1O5I NAD 0.0000003797 0.49968 48.3607
558 3AFN NAP 0.000000000006457 0.73674 48.7705
559 1X1T NAD 0.000000000006177 0.69267 48.8462
560 4KWI NAP 0.00000000004648 0.59964 49.0494
561 4KWI 1TJ 0.00000000005256 0.59058 49.0494
562 3ICC NAP 0.0000000000007769 0.73636 49.4118
563 2DTX BMA 0.00000000000001688 0.85271 49.8084
564 3RKR NAP 0.000005828 0.4314 49.8084
565 1AE1 NAP 0.00000000001005 0.72942 50
Pocket No.: 2; Query (leader) PDB : 4CQM; 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: 4cqm.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4cqm.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4CQM; 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: 4cqm.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4cqm.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: 28
This union binding pocket(no: 6) in the query (biounit: 4cqm.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PA8 621 0.04202 0.40388 2.3622
2 1UI0 URA 0.01658 0.43082 2.43902
3 2GN3 MMA 0.04562 0.40483 3.1746
4 2PHT MAN MAN MAN 0.04962 0.40143 3.1746
5 1DQN IMU 0.03921 0.40164 3.47826
6 1Z82 NDP 0.004668 0.40114 4.09836
7 1JXN MFU 0.03013 0.41098 4.54545
8 4M5P MLA 0.0191 0.41764 4.98084
9 5MX4 HPA 0.03684 0.40607 5.15021
10 2F5X ASP 0.01449 0.4288 5.74713
11 4BHL ARG 0.02321 0.41054 5.74713
12 4BG4 ARG 0.03374 0.40756 5.74713
13 1PTR PRB 0.04558 0.40166 6
14 4R4U COA 0.01385 0.40051 6.51341
15 4I6H 1C8 0.01922 0.40007 6.55738
16 1MVQ MMA 0.03434 0.401 7.20339
17 4RF7 ARG 0.01798 0.42108 7.37705
18 3T2W BTN 0.02359 0.40937 7.37705
19 5BU2 AMP 0.04141 0.40055 8.19672
20 1RM0 NAI 0.00007472 0.40281 8.42912
21 3M89 GSP 0.02887 0.40132 8.81226
22 1HKU NAD 0.002264 0.40556 9.21788
23 3A3B FMN 0.02407 0.41281 9.47368
24 3A3B RBF 0.03436 0.40467 9.47368
25 2GC0 PAN 0.01658 0.40306 11.1702
26 4BUZ OAD 0.001839 0.40892 11.4754
27 4BUZ OCZ 0.002842 0.40188 11.4754
28 2UVO NDG 0.03555 0.41122 11.6959
Pocket No.: 7; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4cqm.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4cqm.bio3) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4cqm.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4cqm.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: 10
This union binding pocket(no: 11) in the query (biounit: 4cqm.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CDC XYS 0.01493 0.4029 2.86885
2 2CDC NAP 0.01493 0.4029 2.86885
3 2CDC XYP 0.01499 0.40282 2.86885
4 2GPT SKM 0.04448 0.40141 4.5977
5 2O07 MTA 0.004284 0.40128 5.36398
6 1M3U KPL 0.03768 0.40142 7.27969
7 2DTJ THR 0.02825 0.4042 8.42697
8 3HVJ 705 0.00553 0.4004 9.04977
9 1VI2 NAD 0.007187 0.40584 11.8852
10 2Z9V PXM 0.0333 0.40821 12.7049
Pocket No.: 12; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4cqm.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4cqm.bio4) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: 7
This union binding pocket(no: 14) in the query (biounit: 4cqm.bio4) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V0O INR 0.01724 0.40106 3.47222
2 2ZV2 609 0.03044 0.40254 4.36242
3 4IRP UDP 0.03651 0.40803 5.57769
4 4FMS BDP 0.04325 0.40207 5.7377
5 4NTC FAD 0.006868 0.40076 6.13027
6 1VBO MAN 0.0287 0.4125 9.39597
7 1OYF MHN 0.03416 0.40714 21.4876
Pocket No.: 15; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4cqm.bio4) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4CQM; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4cqm.bio4) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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