Receptor
PDB id Resolution Class Description Source Keywords
1GZ6 2.38 Å EC: 1.1.1.62 (3R)-HYDROXYACYL-COA DEHYDROGENASE FRAGMENT OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2 RATTUS NORVEGICUS DEHYDROGENASE 17BETA-HSD4 MFE-2 BETA-OXIDATION PEROXISOME SDR STEROID BIOSYNTHESIS OXIDOREDUCTASE NADP MULTIGENE FAMIL
Ref.: BINARY STRUCTURE OF THE TWO-DOMAIN (3R)-HYDROXYACYL-COA DEHYDROGENASE FROM RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2 AT 2.38 A RESOLUTION STRUCTURE V. 11 87 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:1306;
B:1304;
C:1304;
D:1305;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
SO4 A:1303;
A:1304;
A:1305;
D:1303;
D:1304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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
1GZ6 2.38 Å EC: 1.1.1.62 (3R)-HYDROXYACYL-COA DEHYDROGENASE FRAGMENT OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2 RATTUS NORVEGICUS DEHYDROGENASE 17BETA-HSD4 MFE-2 BETA-OXIDATION PEROXISOME SDR STEROID BIOSYNTHESIS OXIDOREDUCTASE NADP MULTIGENE FAMIL
Ref.: BINARY STRUCTURE OF THE TWO-DOMAIN (3R)-HYDROXYACYL-COA DEHYDROGENASE FROM RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2 AT 2.38 A RESOLUTION STRUCTURE V. 11 87 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1GZ6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(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 1GZ6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(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 1GZ6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GZ6; Ligand: NAI; Similar sites found: 464
This union binding pocket(no: 1) in the query (biounit: 1gz6.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FPF MTA 0.003069 0.41004 1.00671
2 3FPF TNA 0.003069 0.41004 1.00671
3 1I2B NAD 0.000002618 0.5461 1.25392
4 1I2B USQ 0.003034 0.45214 1.25392
5 1I2B UPG 0.003034 0.45214 1.25392
6 3L9W AMP 0.002432 0.4044 1.25392
7 1HDG NAD 0.000223 0.45993 1.5674
8 3NJ4 AFX 0.03618 0.40288 1.5674
9 3NJ4 NAD 0.03856 0.40164 1.5674
10 2YY7 NAD 0.0000002661 0.55173 1.60256
11 3O9Z AKG 0.002151 0.42106 1.60256
12 3O9Z NAD 0.002381 0.42027 1.60256
13 2PD4 DCN 0.000006687 0.50642 1.81818
14 2PD4 NAD 0.000008018 0.50344 1.81818
15 1GY8 NAD 0.0000001616 0.55978 1.88088
16 4M73 SAH 0.001054 0.42443 1.88088
17 4M73 M72 0.0018 0.41674 1.88088
18 5JY6 NAD 0.003733 0.41606 1.88088
19 1N4W FAD 0.004761 0.4066 1.88088
20 1E1M NAP 0.008661 0.40379 1.88088
21 1E1M FAD 0.008661 0.40379 1.88088
22 4MO2 FDA 0.004446 0.40172 1.88088
23 5BR7 FLC 0.01285 0.40167 1.88088
24 5BR7 FAD 0.01294 0.40154 1.88088
25 3OA2 NAD 0.0003787 0.42834 1.88679
26 4YUW 4JU 0.01036 0.42265 1.97368
27 4YUW S4M 0.01027 0.42239 1.97368
28 3ORF NAD 0.000004601 0.49875 1.99203
29 2VDV SAM 0.001932 0.455 2.03252
30 4PVD NDP 0.00002586 0.46328 2.19436
31 1A5Z NAD 0.00001386 0.44962 2.19436
32 4GKV NAD 0.0005071 0.43391 2.19436
33 3V1Y NAD 0.0004682 0.41838 2.19436
34 1GAD NAD 0.000538 0.41708 2.19436
35 2DKH FAD 0.002378 0.40735 2.19436
36 2V3A FAD 0.003567 0.40647 2.19436
37 2DKH 3HB 0.004199 0.40479 2.19436
38 2V3B FAD 0.003755 0.40453 2.19436
39 4FWE FAD 0.006409 0.40155 2.19436
40 5T9F TYR 0.002173 0.41361 2.21402
41 5T9F NAP 0.00239 0.41089 2.21402
42 1HDO NAP 0.00004523 0.4735 2.42718
43 1RKX NAD 0.000001685 0.52192 2.50784
44 1V35 NAI 0.00001115 0.50668 2.50784
45 3L4S NAD 0.0003679 0.43638 2.50784
46 3L4S 3PG 0.0004014 0.43637 2.50784
47 3CMC NAD 0.00307 0.42985 2.50784
48 2B4R AES 0.0004446 0.42887 2.50784
49 2B4R NAD 0.0007479 0.42346 2.50784
50 1U8X NAD 0.0006836 0.41402 2.50784
51 4J36 FAD 0.002177 0.40879 2.50784
52 3E1T FAD 0.00435 0.40814 2.50784
53 1RYI FAD 0.004078 0.4073 2.50784
54 4J36 1HR 0.004654 0.40699 2.50784
55 4MIG G3F 0.006187 0.4065 2.50784
56 1Q0H NDP 0.00722 0.40301 2.50784
57 1I8T FAD 0.004788 0.40259 2.50784
58 5O4J 9KH 0.00222 0.40972 2.55474
59 5O4J SAH 0.00222 0.40972 2.55474
60 5O4J PJL 0.002126 0.40918 2.55474
61 4NTD FAD 0.001932 0.41668 2.64706
62 1JQ3 AAT 0.001787 0.41202 2.7027
63 2HMT NAI 0.0001197 0.42337 2.77778
64 2PK3 A2R 0.00000262 0.46906 2.82132
65 1PZG A3D 0.0001364 0.45953 2.82132
66 5HSA FAS 0.0007429 0.43599 2.82132
67 1NAA ABL 0.001643 0.43279 2.82132
68 1COY FAD 0.001638 0.42268 2.82132
69 2PT9 2MH 0.001256 0.41906 2.82132
70 1NAA 6FA 0.002669 0.41643 2.82132
71 3CGD NAD 0.009139 0.41601 2.82132
72 3CGD COA 0.009139 0.41601 2.82132
73 3CGD FAD 0.009139 0.41601 2.82132
74 1COY AND 0.005424 0.41421 2.82132
75 3QVP FAD 0.004153 0.40892 2.82132
76 3CGB FAD 0.003252 0.40692 2.82132
77 2G5C NAD 0.001373 0.41109 2.84698
78 4O1M NAD 0.000007532 0.4941 2.85714
79 3GGO NAI 0.001508 0.42407 2.86624
80 3GGO ENO 0.001508 0.42407 2.86624
81 1HYH NAD 0.0006934 0.42468 2.91262
82 5JE8 NAD 0.002941 0.41457 2.98013
83 1SB8 UD2 0.00000002862 0.62227 3.1348
84 1SB8 NAD 0.00000002054 0.62227 3.1348
85 4GLL NAD 0.0000003069 0.55143 3.1348
86 4PLT NAI 0.0001463 0.47677 3.1348
87 4PLT OXM 0.0001808 0.47124 3.1348
88 4PLG NAI 0.0001044 0.46396 3.1348
89 1YKJ PHB 0.005296 0.41812 3.1348
90 1YKJ FAD 0.005296 0.41812 3.1348
91 5KMS NAD 0.00591 0.41342 3.1348
92 5KMS FAD 0.002956 0.40738 3.1348
93 3QJ4 FAD 0.003676 0.40597 3.1348
94 4OBW SAM 0.0003327 0.4045 3.1348
95 4AP3 NAP 0.01223 0.4019 3.1348
96 4AP3 FAD 0.01223 0.4019 3.1348
97 1J5P NAD 0.001496 0.40361 3.16206
98 2I7C AAT 0.001777 0.41211 3.18021
99 4XUC 43G 0.003144 0.40402 3.21101
100 4XUC SAM 0.003144 0.40402 3.21101
101 1GV0 NAD 0.00006678 0.45901 3.22581
102 1HDR NAD 0.0001559 0.46993 3.27869
103 5FJN BE2 0.006574 0.40291 3.28947
104 5FJN FAD 0.005601 0.40291 3.28947
105 1O6Z NAD 0.0006227 0.40616 3.30033
106 2PV7 NAD 0.0004673 0.42235 3.3557
107 2GN4 UD1 0.000002073 0.58431 3.44828
108 2GN4 NDP 0.00000187 0.58431 3.44828
109 4TQG NDP 0.0000001902 0.54613 3.44828
110 2Q1S NAI 0.000002231 0.53657 3.44828
111 4U7W NDP 0.00002165 0.4692 3.44828
112 2HJR APR 0.00003034 0.44633 3.44828
113 1J0X NAD 0.001626 0.42484 3.44828
114 3ABI NAD 0.0007847 0.41969 3.44828
115 4NTC FAD 0.002883 0.41315 3.44828
116 2E5V FAD 0.005191 0.40513 3.44828
117 3UOY FAD 0.01433 0.40219 3.44828
118 3UOY NAP 0.01433 0.40219 3.44828
119 1LLU NAD 0.00354 0.40207 3.44828
120 5MZI FYK 0.01268 0.40126 3.44828
121 5MZI FAD 0.01243 0.40095 3.44828
122 4J4H NAI 0.006919 0.40115 3.4749
123 1NNU TCT 0.000031 0.52129 3.49345
124 1NNU NAD 0.00003084 0.52067 3.49345
125 2Q46 NAP 0.00001262 0.48199 3.55731
126 1RPN NDP 0.000004799 0.51348 3.76176
127 2V6G NAP 0.0001027 0.45553 3.76176
128 1VKO NAD 0.0001322 0.45299 3.76176
129 1CER NAD 0.0003389 0.44908 3.76176
130 4RSL FAD 0.0004646 0.43795 3.76176
131 4JNA FAD 0.001035 0.43147 3.76176
132 4C3Y FAD 0.00196 0.41966 3.76176
133 4C3Y ANB 0.002911 0.41774 3.76176
134 4X9M FAD 0.003353 0.40959 3.76176
135 4REP FAD 0.004325 0.4043 3.76176
136 5EZ7 FAD 0.004919 0.40214 3.76176
137 1NVM NAD 0.002916 0.40146 3.76176
138 3ICR FAD 0.004822 0.40037 3.76176
139 3ICS FAD 0.00521 0.40014 3.76176
140 3B1F NAD 0.0003977 0.40696 3.7931
141 5KKA 6V0 0.00003504 0.47454 3.84615
142 1RM4 NDP 0.001422 0.40434 3.85757
143 1SAY PYR 0.003263 0.40341 3.87812
144 1E6E FAD 0.003374 0.40519 3.90625
145 4BQS K2Q 0.03263 0.40586 3.97727
146 1KEW TYD 0.00000283 0.54016 4.07523
147 1KEW NAD 0.000004799 0.53219 4.07523
148 1E7S NAP 0.00001242 0.49138 4.07523
149 2C29 DQH 0.000051 0.48353 4.07523
150 2C29 NAP 0.0000571 0.48161 4.07523
151 1SOW NAD 0.00004811 0.4694 4.07523
152 2A92 NAI 0.0001614 0.44976 4.07523
153 3H9E NAD 0.0002376 0.42652 4.07523
154 1DSS NAD 0.0002627 0.42319 4.07523
155 3AXB FAD 0.002101 0.41417 4.07523
156 3AXB PRO 0.002879 0.41417 4.07523
157 3LZW FAD 0.002505 0.41236 4.07523
158 3LZW NAP 0.006716 0.41116 4.07523
159 1D4D FAD 0.004193 0.40876 4.07523
160 1PN0 IPH 0.006982 0.40441 4.07523
161 1PN0 FAD 0.006655 0.40441 4.07523
162 1ZMD FAD 0.005905 0.40294 4.07523
163 2BRY FAD 0.003476 0.40115 4.07523
164 3RNM FAD 0.006611 0.40102 4.07523
165 1GR0 NAD 0.003787 0.40096 4.07523
166 1LDN NAD 0.0003115 0.43761 4.11392
167 2WYV NAD 0.00007609 0.45734 4.21456
168 5CG1 NAD BBN 0.0000155 0.52089 4.2623
169 5L95 AMP 0.0001828 0.41014 4.30108
170 2C5A GDC 0.0000004157 0.57703 4.38871
171 2C5A NAD 0.0000004157 0.57703 4.38871
172 3WMX NAD 0.0000002517 0.53343 4.38871
173 1N7G NDP 0.00002727 0.51683 4.38871
174 1N7G GDR 0.0000418 0.49871 4.38871
175 1T26 NAI 0.0002463 0.45572 4.38871
176 4XQC 13D 0.001386 0.42853 4.38871
177 4XQC NAD 0.001639 0.42471 4.38871
178 3CTY FAD 0.003528 0.41263 4.38871
179 1X7D ORN 0.003144 0.40748 4.38871
180 4XB2 NDP 0.0004861 0.40643 4.38871
181 1X7D NAD 0.001541 0.40638 4.38871
182 4XB2 HSE 0.002353 0.40625 4.38871
183 3GDN FAD 0.006693 0.40081 4.38871
184 3GDN HBX 0.009838 0.40081 4.38871
185 4ZRN NAD 0.000000008284 0.61442 4.48718
186 4ZRN UPG 0.0000000781 0.60077 4.48718
187 3KO8 NAD 0.00000005666 0.57885 4.48718
188 1EQ2 NAP 0.00004605 0.46524 4.51613
189 1QG6 NAD 0.000007606 0.51578 4.5977
190 1QG6 TCL 0.000007606 0.51578 4.5977
191 5L4L NAP 0.0001387 0.43056 4.60526
192 5L4L 7OX 0.001571 0.419 4.60526
193 1OAA OAA 0.00000002755 0.61104 4.6332
194 1XCL SAH 0.001662 0.4119 4.68085
195 1BXK NAD 0.00000008802 0.56017 4.70219
196 5IN4 NAP 0.0001854 0.51715 4.70219
197 5IN4 6CK 0.000182 0.51715 4.70219
198 5IN4 GDP 0.0001921 0.51535 4.70219
199 4R1S NAP 0.000001291 0.50694 4.70219
200 3T31 FAD 0.003903 0.41849 4.70219
201 3T31 DCQ 0.004253 0.41849 4.70219
202 1H82 FAD 0.009369 0.40387 4.70219
203 1H82 GZZ 0.01184 0.40313 4.70219
204 1Q9I TEO 0.008821 0.40565 4.90368
205 1R6D NAD 0.0000005809 0.57121 5.01567
206 1Z45 NAD 0.00000006338 0.57027 5.01567
207 1R6D DAU 0.000001838 0.54999 5.01567
208 1WVG APR 0.000002551 0.49262 5.01567
209 3GD4 NAD 0.006905 0.41949 5.01567
210 3GD4 FAD 0.004345 0.41884 5.01567
211 3C6K MTA 0.002791 0.40832 5.01567
212 3C6K SPD 0.002791 0.40832 5.01567
213 1EZ4 NAD 0.000146 0.43497 5.03145
214 1VL0 NAI 0.00000049 0.5186 5.13699
215 3LU1 NAD 0.000000005852 0.6078 5.32915
216 5LD5 NAD 0.0001248 0.42659 5.32915
217 1GTE FAD 0.00361 0.42355 5.32915
218 3B20 NAD 0.0002843 0.42165 5.32915
219 3B1J NAD 0.0007018 0.42137 5.32915
220 1QO8 FAD 0.002537 0.41631 5.32915
221 2VHW NAI 0.001971 0.41408 5.32915
222 2D2I NAP 0.0004991 0.41087 5.32915
223 5EB4 FAD 0.005517 0.40123 5.32915
224 3OJF IMJ 0.000006006 0.51709 5.44747
225 3OJF NDP 0.000004939 0.51141 5.44747
226 1B8U NAD 0.0002849 0.40644 5.47112
227 1B8U OAA 0.003151 0.4015 5.47112
228 1ORR NAD 0.00000001844 0.59922 5.64263
229 1OC2 TDX 0.00000179 0.55386 5.64263
230 1OC2 NAD 0.00000179 0.55386 5.64263
231 5MSO NAP 0.000003825 0.49294 5.64263
232 5JAQ NAI 0.00003851 0.48323 5.64263
233 5MDH NAD 0.0001002 0.44482 5.64263
234 4MDH NAD 0.0001892 0.43535 5.64263
235 1X87 NAD 0.0005265 0.40459 5.64263
236 5J60 FAD 0.005019 0.40282 5.64263
237 1LSS NAD 0.000215 0.41478 5.71429
238 1GPE FAD 0.002287 0.42096 5.95611
239 2GZ3 NAP 0.003884 0.41453 5.95611
240 3RFV NAI 0.0000008662 0.52003 5.99251
241 3RFV 15L 0.00001511 0.47122 5.99251
242 2CVQ NDP 0.0006631 0.41899 6.11621
243 3VPH NAD 0.0001234 0.4556 6.12903
244 3VPH OXM 0.0003568 0.44101 6.12903
245 2BKA NDP 0.000107 0.4481 6.19835
246 3H4V DVP 0.0000001642 0.57925 6.25
247 3H4V NAP 0.0000003954 0.56289 6.25
248 3SSO SAH 0.002349 0.41557 6.26959
249 2Y6Q I7T 0.004501 0.41027 6.26959
250 2Y6Q FAD 0.001923 0.40953 6.26959
251 4OPC PGT 0.03213 0.40229 6.26959
252 4OPC FDA 0.02881 0.40162 6.26959
253 1E5Q NDP 0.002246 0.4012 6.26959
254 2DKN NAI 0.0000000006215 0.6366 6.27451
255 4Q9N NAI 0.00000917 0.49455 6.37584
256 1UXG NAD 0.0001016 0.46573 6.47249
257 5F5N NAD 0.000509 0.41876 6.57439
258 2X6T NAP 0.00002343 0.47613 6.58307
259 1U1I NAD 0.0002983 0.44261 6.58307
260 3CIF NAD 0.0004729 0.42502 6.58307
261 3CIF G3H 0.001254 0.42033 6.58307
262 1MV8 NAD 0.000751 0.41169 6.58307
263 1MUU NAD 0.0008736 0.40929 6.58307
264 1FK8 NAD 0.00000001771 0.56756 6.61479
265 1LTH NAD 0.0000622 0.44011 6.89655
266 4MOP 2H5 0.001256 0.43663 6.89655
267 4RPL FAD 0.008123 0.41114 6.89655
268 4RPL 3UC 0.01126 0.40714 6.89655
269 1D7O NAD 0.00002571 0.4872 7.07071
270 3OIG NAD 0.000009845 0.48269 7.14286
271 1UP7 NAD 0.0005142 0.41232 7.21003
272 3WQQ NDP 0.00501 0.40383 7.21003
273 3WQQ IB3 0.00501 0.40383 7.21003
274 1GUZ NAD 0.0001012 0.44795 7.41935
275 9LDT NAD 0.00007151 0.46138 7.52351
276 9LDB NAD 0.000072 0.46127 7.52351
277 3AYI FAD 0.005759 0.41015 7.52351
278 3AYI HCI 0.00602 0.41015 7.52351
279 3OJO NAD 0.0006273 0.40315 7.52351
280 2CUL FAD 0.003095 0.40546 7.75862
281 3AB1 FAD 0.002453 0.41484 7.83699
282 3G5S FAD 0.002323 0.4125 8.15047
283 4EIP FAD 0.007078 0.40251 8.15047
284 4EIP K2C 0.007078 0.40251 8.15047
285 1SNY NAP 0.00000001524 0.57625 8.2397
286 2F1K NAP 0.0006684 0.41346 8.24373
287 4YSX FAD 0.00456 0.40443 8.33333
288 1R37 NAD 0.00265 0.40682 8.35735
289 1RM0 D6P 0.000284 0.4596 8.46395
290 1RM0 NAI 0.0002465 0.45898 8.46395
291 1Y8Q ATP 0.0002705 0.41837 8.46395
292 2EXX NAP 0.001916 0.41214 8.49673
293 3QV1 NAD 0.0001585 0.43013 8.53659
294 5N53 8NB 0.03774 0.40868 8.71795
295 4HSU FAD 0.005642 0.40463 8.87097
296 4GUT FAD 0.006843 0.40309 8.87097
297 2Q7V FAD 0.005073 0.40362 9.09091
298 5UAV TFB 0.004014 0.40117 9.40439
299 2DT5 NAD 0.0007846 0.41659 9.47867
300 4DMG SAM 0.02242 0.40682 9.71787
301 3H8V ATP 0.0002152 0.40514 9.93151
302 1LDM NAD 0.000305 0.4346 10.0313
303 4ZVV NAD 0.0002455 0.47029 10.3448
304 4ZVV GN0 0.0002455 0.47029 10.3448
305 1I0Z NAI 0.0002664 0.4369 10.3448
306 2V3V MGD 0.01516 0.40405 10.3448
307 1JNR FAD 0.01414 0.40642 10.6667
308 1UWK NAD 0.0002734 0.45721 10.9718
309 1UWK URO 0.0002734 0.45721 10.9718
310 4HA6 FAD 0.0025 0.41754 10.9718
311 1UDB NAD 0.0000001062 0.59819 11.5987
312 1UDB UFG 0.001313 0.46569 11.5987
313 2DC1 NAD 0.000428 0.42312 12.2881
314 3I6I NDP 0.001119 0.42578 12.5392
315 4W6Z 8ID 0.004342 0.40101 13.4796
316 4OHU 2TK 0.000008163 0.5273 13.4948
317 4OHU NAD 0.000008163 0.5273 13.4948
318 4D42 W0I 0.000002424 0.54283 13.8298
319 4D42 NAP 0.000002424 0.54283 13.8298
320 4OOE FOM 0.007077 0.4196 14.1066
321 4OOE NDP 0.007077 0.4196 14.1066
322 4EUE NAI 0.000002571 0.51693 14.4201
323 2FR1 NDP 0.00000001424 0.60126 14.8148
324 5L53 NAP 0.0000000104 0.55317 15.047
325 5L4S 6KX 0.000000003428 0.63516 15.4088
326 5L4S NAP 0.000000003428 0.63516 15.4088
327 4PIV NDP 0.00000109 0.52895 15.674
328 1MXH NAP 0.000001692 0.5339 15.942
329 1MXH DHF 0.000001697 0.53386 15.942
330 2Q1W NAD 0.0000003372 0.5499 15.9875
331 1Y1P NMN AMP PO4 0.00005648 0.43866 15.9875
332 2PZM NAD 0.000001305 0.54566 16.9279
333 2PZM UDP 0.000001305 0.54566 16.9279
334 3RJ5 NAD 0.00000004365 0.59479 16.9291
335 4J7U YTZ 0.00000009124 0.58917 17.3611
336 4J7U NAP 0.00000009124 0.58917 17.3611
337 5JCJ NAP 0.00000009442 0.57911 17.7083
338 5K6A NAP 0.00000005576 0.5719 17.7083
339 4CM9 NAP 0.00000006362 0.56983 17.7083
340 4CME NAP 0.00000005493 0.56695 17.7083
341 3BMQ NAP 0.00000007677 0.56689 17.7083
342 3JQF NAP 0.00000008272 0.56567 17.7083
343 3JQ9 NAP 0.00000008831 0.56468 17.7083
344 3BMN NAP 0.0000000961 0.56331 17.7083
345 3JQ8 NAP 0.00000009721 0.56317 17.7083
346 4CM4 NAP 0.00000009544 0.55827 17.7083
347 4CM8 NAP 0.00000009558 0.55824 17.7083
348 3JQ7 NAP 0.00000007246 0.55727 17.7083
349 4CLR NAP 0.0000001022 0.5572 17.7083
350 5JDC NAP 0.0000001083 0.55637 17.7083
351 3BMO NAP 0.0000001087 0.55624 17.7083
352 5JDI NAP 0.0000001157 0.55531 17.7083
353 4CLO NAP 0.00000008691 0.55445 17.7083
354 4CMI NAP 0.0000001338 0.55302 17.7083
355 3JQA NAP 0.000000103 0.55172 17.7083
356 3JQB NAP 0.0000001572 0.54531 17.7083
357 3JQG NAP 0.0000001776 0.54349 17.7083
358 1Z6Z NAP 0.00000001757 0.59021 17.7305
359 3O26 NDP 0.00000000109 0.63429 18.6495
360 2F5Z FAD 0.004603 0.40718 18.75
361 2VZ0 D64 0.000002083 0.56831 19.0299
362 2VZ0 NAP 0.000002083 0.56831 19.0299
363 2WD7 NAP 0.0000001091 0.55619 19.0299
364 3A4V PYR 0.0000001656 0.56908 19.5584
365 3A4V NAD 0.0000001656 0.56908 19.5584
366 1EK6 NAI 0.0000001882 0.59083 20.0627
367 1EK6 UPG 0.000001169 0.56132 20.0627
368 4HXY NDP 0.000000001862 0.63188 21.9178
369 3MJE NDP 0.00000001962 0.58844 22.2571
370 1W8D NAP 0.00000003893 0.54893 23.1975
371 1W73 NAP 0.00000004002 0.54848 23.1975
372 4J1Q NDP 0.0000003167 0.53514 23.511
373 1W6U NAP 0.00000008624 0.53792 23.8411
374 5GT9 NAP 0.0000002822 0.55078 26.2357
375 3U4C NDP 0.00000008548 0.55952 26.6904
376 1N5D NDP 0.000000009574 0.60543 27.4306
377 4YAG NAI 0.000000000561 0.67517 27.6817
378 1WMA AB3 0.00000002481 0.61282 27.8986
379 1WMA NDP 0.00000002481 0.61282 27.8986
380 1XSE NDP 0.00000009947 0.58448 28.4746
381 4FC7 COA 0.000000007654 0.63103 28.8809
382 4FC7 NAP 0.000000007654 0.63103 28.8809
383 2B4Q NAP 0.00000001167 0.59731 28.9855
384 3ICC NAP 0.0000000006129 0.65231 29.0196
385 3WXB NDP 0.000000003463 0.62186 29.3907
386 3V1U NAD 0.00000000007883 0.64451 30.094
387 2DTX BMA 0.000000001062 0.65865 30.303
388 3SJU NDP 0.00000001783 0.59539 30.466
389 3TN7 NJP 0.00000002311 0.5912 30.7393
390 3CH6 NAP 0.000001183 0.5665 30.7692
391 3CH6 311 0.000001183 0.5665 30.7692
392 4K26 NDP 0.00000008936 0.56935 30.7971
393 4K26 SFF 0.0000002817 0.5654 30.7971
394 4O0L NDP 0.000000001921 0.63137 30.9091
395 2BGM NAJ 0.000000001936 0.60801 30.9353
396 3O03 NAP 0.0000000002496 0.63641 31.2715
397 2RH4 EMO 0.000000004558 0.6449 31.769
398 2WSB NAD 0.0000000008662 0.66403 32.2835
399 4ITU 1HS 0.00000000007935 0.70821 32.342
400 4ITU NAI 0.00000000002304 0.70821 32.342
401 5THQ NDP 0.00000000207 0.62416 32.3529
402 3A28 NAD 0.0000000001772 0.66338 32.5581
403 1H5Q NAP 0.0000000005763 0.65082 32.8302
404 2EWM NAD 0.0000000001246 0.67556 32.9317
405 3ZV6 NAD 0.000000008752 0.62703 33.452
406 3ZV6 4HB 0.000000009704 0.62703 33.452
407 1GEG NAD 0.00000000004739 0.68414 33.5938
408 1XHL NDP 0.00000001584 0.59953 33.67
409 2GDZ NAD 0.00000000004668 0.68431 33.7079
410 3AFN NAP 0.000000002298 0.63318 33.7209
411 1XKQ NDP 0.00000001767 0.59992 33.9286
412 1PR9 NAP 0.000000001888 0.63638 34.0164
413 3D3W NAP 0.000000002602 0.63115 34.0164
414 3OID NDP 0.000000004287 0.62301 34.1085
415 1ZK4 NAP 0.000000003167 0.63442 34.2629
416 1ZK4 AC0 0.003253 0.46404 34.2629
417 1G0N PHH 0.0000000002123 0.68963 34.2756
418 1G0N NDP 0.0000000001665 0.68749 34.2756
419 1JA9 NDP 0.0000000001262 0.67796 34.3066
420 1UAY ADN 0.00000008389 0.47496 34.7107
421 2JAH NDP 0.000000007148 0.61015 34.8178
422 1IY8 NAD 0.00000000002198 0.70358 34.8315
423 5ITV NAI 0.0000000003153 0.66056 34.902
424 4OSP NAP 0.000000001603 0.62116 35.3612
425 1XG5 NAP 0.00000007658 0.57185 35.8423
426 4QED NAP 0.00000004994 0.57363 35.8871
427 2CFC NAD 0.000000000188 0.65562 36
428 2JAP NDP 0.000000006791 0.61098 36.0324
429 1BDB NAD 0.00000001211 0.60608 36.1011
430 1X1T NAD 0.000000001431 0.6409 36.1538
431 2AG5 NAD 0.000000005614 0.60839 36.1789
432 1O5I NAD 0.00002104 0.44103 36.5462
433 1E3W NAD 0.00000000001723 0.70017 37.931
434 1E6W NAD 0.00000000005246 0.69676 38.0769
435 5T2U NAP 0.00000001192 0.60633 38.3064
436 1U7T TDT 0.00000000009842 0.70257 38.3142
437 1U7T NAD 0.0000000002 0.6472 38.3142
438 2AE2 NAP 0.000000005051 0.63446 38.4615
439 2AE2 PTO 0.000000005051 0.63446 38.4615
440 1ZEM NAD 0.000000000721 0.62109 38.5496
441 3AY6 NAI 0.000000002531 0.64018 38.6617
442 3AY6 BGC 0.0000000121 0.63435 38.6617
443 1UZN NAP 0.000001864 0.4525 38.8664
444 4KWI 1TJ 0.00000001133 0.62268 39.1635
445 4KWI NAP 0.0000000102 0.62268 39.1635
446 1AE1 NAP 0.000000003563 0.62602 39.1941
447 3SJ7 NDP 0.0000000001915 0.65427 39.6825
448 3GEG NAD 0.0000000009316 0.62444 40.8907
449 4GQB 0XU 0.0009658 0.40055 40.9091
450 1Q7B NAP 0.00000001689 0.59085 40.9836
451 1NFQ NAI 0.00000000009213 0.68307 42.3077
452 2ZAT NAP 0.000000008957 0.60081 43.0769
453 2BD0 NAP 0.000000007578 0.6115 43.4426
454 1VL8 NAP 0.0000000001552 0.67711 43.8202
455 1GEE NAD 0.000000001586 0.62835 44.4444
456 4NBW NAD 0.00000000002228 0.68036 44.7471
457 3VZS NAP 0.00000003418 0.60897 44.7471
458 3VZS CAA 0.0000001364 0.60805 44.7471
459 5EPO NAP 0.000002694 0.51025 45.8015
460 4ZA2 NAD 0.0000000000868 0.66788 46.2451
461 4FN4 NAD 0.00000000009977 0.67227 47.2441
462 3NUG NAD 0.0000000004089 0.65637 47.3684
463 2Q2V NAD 0.0000000001824 0.67448 49.0196
464 4NBT NAD 0.00000000005556 0.67383 49.1667
Pocket No.: 2; Query (leader) PDB : 1GZ6; Ligand: NAI; 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: 1gz6.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1GZ6; Ligand: NAI; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 1gz6.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VYN NAD 0.001991 0.40226 2.82132
2 4J4H 1J1 0.00697 0.40277 3.4749
3 1WDK NAD 0.0007178 0.40025 4.70219
4 4AT0 FAD 0.005412 0.40797 5.32915
5 4YNU FAD 0.007306 0.40022 13.7931
Pocket No.: 4; Query (leader) PDB : 1GZ6; Ligand: NAI; 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: 1gz6.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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