Receptor
PDB id Resolution Class Description Source Keywords
4XDY 1.54 Å EC: 1.1.1.86 STRUCTURE OF NADH-PREFERRING KETOL-ACID REDUCTOISOMERASE FRO UNCULTURED ARCHEAN UNCULTURED ARCHAEON GZFOS26G2 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
A:402;
B:402;
B:403;
A:404;
B:405;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL B:406;
A:405;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HIO B:401;
A:406;
Valid;
Valid;
none;
none;
submit data
147.129 C5 H9 N O4 CC(C)...
NAI A:403;
B:404;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XDY 1.54 Å EC: 1.1.1.86 STRUCTURE OF NADH-PREFERRING KETOL-ACID REDUCTOISOMERASE FRO UNCULTURED ARCHEAN UNCULTURED ARCHAEON GZFOS26G2 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
3 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
4 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HIO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HIO 1 1
Ligand no: 2; 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 : 4XDY; Ligand: NAI; Similar sites found: 416
This union binding pocket(no: 1) in the query (biounit: 4xdy.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OJO NAD 0.00001168 0.48339 0.887574
2 2GZ3 NAP 0.001258 0.44533 1.47929
3 4E5N NAD 0.0001253 0.46627 1.51515
4 4MIG G3F 0.003663 0.42571 1.77515
5 2QRK AMP 0.002571 0.42248 1.77515
6 5EOW FAD 0.002283 0.41995 1.77515
7 4R5M NAP 0.001576 0.41969 1.77515
8 4R5M 4NO 0.002104 0.41752 1.77515
9 4RSL FAD 0.003782 0.41342 1.77515
10 1PZG A3D 0.001067 0.43696 1.81269
11 5UAV NDP 0.00002228 0.50401 1.86335
12 5UAV TFB 0.00002228 0.50401 1.86335
13 3C1O NAP 0.0001786 0.44485 1.86916
14 2EV9 NAP 0.0008855 0.43388 1.90114
15 2EV9 SKM 0.0008855 0.43388 1.90114
16 1US5 GLU 0.01936 0.40498 1.91083
17 5KMS NAD 0.001785 0.44549 2.07101
18 3I6I NDP 0.0008449 0.44227 2.07101
19 1YS4 NAP 0.0002543 0.43315 2.07101
20 4DPL NAP 0.0002851 0.4308 2.07101
21 1PL6 572 0.001398 0.42595 2.07101
22 3H8V ATP 0.0001316 0.42553 2.07101
23 2E5V FAD 0.00377 0.42069 2.07101
24 2GVC FAD 0.002112 0.42007 2.07101
25 1VQW FAD 0.002122 0.41999 2.07101
26 1PL6 NAD 0.0005195 0.41439 2.07101
27 5IN4 NAP 0.04978 0.41329 2.07101
28 5IN4 GDP 0.04799 0.41329 2.07101
29 5KMS FAD 0.004256 0.41134 2.07101
30 2GV8 NDP 0.003673 0.40795 2.07101
31 2Q0L NAP 0.001866 0.44551 2.2508
32 5CG1 NAD BBN 0.01631 0.40589 2.29508
33 4XQC NAD 0.00009792 0.4867 2.36686
34 3CIF NAD 0.00006805 0.47348 2.36686
35 5U5G NAP 0.00007241 0.47241 2.36686
36 5JWC FAD 0.0001431 0.46985 2.36686
37 4XQC 13D 0.0002674 0.46963 2.36686
38 3CIF G3H 0.0009224 0.4371 2.36686
39 1EBF NAD 0.0003642 0.43321 2.36686
40 4CJX NAP 0.00155 0.4134 2.36686
41 4MO2 FAD 0.008898 0.40037 2.36686
42 4MO2 FDA 0.008436 0.40029 2.36686
43 4E13 NAD 0.01201 0.4014 2.4735
44 4D42 NAP 0.006837 0.41504 2.48227
45 4D42 W0I 0.006837 0.41504 2.48227
46 5T9F TYR 0.00001523 0.51219 2.58303
47 5T9F NAP 0.00001951 0.50635 2.58303
48 5T9E NAP 0.00001379 0.49696 2.58303
49 1HYH NAD 0.0002308 0.42847 2.589
50 3WBF NAP 0.01834 0.40366 2.62295
51 3WBF API 0.0234 0.40366 2.62295
52 1LLU NAD 0.0001294 0.4702 2.66272
53 1ZMD FAD 0.0005906 0.45422 2.66272
54 3LAD FAD 0.001205 0.44031 2.66272
55 2V3A FAD 0.001592 0.43101 2.66272
56 5EZ7 FAD 0.002117 0.42703 2.66272
57 4Z24 FAD 0.003401 0.4216 2.66272
58 5VN0 NAI 0.001312 0.41978 2.66272
59 2BRY FAD 0.002185 0.41947 2.66272
60 2NVK FAD 0.01651 0.41843 2.66272
61 1ZMD NAI 0.001227 0.41684 2.66272
62 5MQ6 NDP 0.003301 0.41285 2.66272
63 4TXI FAD 0.004191 0.40688 2.66272
64 5KVS 6XR 0.006431 0.40063 2.66272
65 4ZCC FAD 0.001222 0.44764 2.67857
66 4ZCC NAI 0.001222 0.44764 2.67857
67 9LDB NAD 0.01262 0.41326 2.71084
68 9LDT NAD 0.01426 0.41092 2.71084
69 2CVQ NDP 0.002105 0.40322 2.75229
70 3VPH OXM 0.001005 0.43559 2.90323
71 3VPH NAD 0.00135 0.42787 2.90323
72 3JV7 NAD 0.0001548 0.46104 2.95858
73 5A04 NDP 0.001509 0.44707 2.95858
74 5A04 BGC 0.001848 0.44707 2.95858
75 3B20 NAD 0.0003005 0.43595 2.95858
76 1E1M NAP 0.003013 0.43261 2.95858
77 1E1M FAD 0.003013 0.43261 2.95858
78 1E6E FAD 0.00128 0.43256 2.95858
79 2D2I NAP 0.0007473 0.41759 2.95858
80 4BV6 FAD 0.00511 0.41329 2.95858
81 4RPL 3UC 0.01959 0.40541 2.95858
82 4RPL FAD 0.01821 0.40504 2.95858
83 4EUE NAI 0.004947 0.40399 2.95858
84 4BVA NDP 0.0004877 0.44279 2.98507
85 4BVA T3 0.002059 0.42643 2.98507
86 3CMC NAD 0.002222 0.44636 2.99401
87 1CER NAD 0.0001776 0.45366 3.02115
88 1M3U KPL 0.03049 0.40255 3.0303
89 4JK3 NAD 0.0001231 0.45987 3.0888
90 2CVZ NDP 0.0001081 0.46207 3.11419
91 2YY7 NAD 0.003706 0.40773 3.20513
92 1SC6 NAD 0.0000966 0.47233 3.25444
93 1YY5 FAD 0.0002499 0.47085 3.25444
94 4JDR FAD 0.0003848 0.45976 3.25444
95 5TTJ FAD 0.000683 0.44722 3.25444
96 3AYI FAD 0.001583 0.44372 3.25444
97 3AYI HCI 0.001656 0.44372 3.25444
98 4D04 NAP 0.004318 0.43173 3.25444
99 4D04 FAD 0.004318 0.43173 3.25444
100 4EIP FAD 0.004116 0.42184 3.25444
101 4EIP K2C 0.004116 0.42184 3.25444
102 1U1I NAD 0.00235 0.41945 3.25444
103 1GQ2 NAP 0.001788 0.41752 3.25444
104 2JB2 FAD 0.004434 0.41383 3.25444
105 2JB2 PHE 0.004693 0.41383 3.25444
106 1E3I CXF 0.0001757 0.41142 3.25444
107 1Y8Q ATP 0.003443 0.40909 3.25444
108 4FWE FAD 0.0001755 0.47615 3.26633
109 4GKV NAD 0.00004688 0.43737 3.27381
110 5VKT NAP 0.00007386 0.47376 3.31492
111 3SQP FAD 0.002979 0.47293 3.34728
112 3F8D FAD 0.007385 0.42591 3.40557
113 1LUA NAP 0.0004757 0.41722 3.48432
114 2EUG URA 0.01341 0.4211 3.49345
115 2WSB NAD 0.009936 0.40036 3.54331
116 5U8U FAD 0.0008765 0.46335 3.5503
117 5DN9 NAD 0.0003054 0.45378 3.5503
118 2YYY NAP 0.0002879 0.44879 3.5503
119 5G3U FDA 0.0005939 0.44854 3.5503
120 5G3U ITW 0.001113 0.44378 3.5503
121 3UCL NAP 0.003118 0.44121 3.5503
122 2NAD NAD 0.0008067 0.43945 3.5503
123 4J36 1HR 0.001515 0.43719 3.5503
124 4EDF UPG 0.001952 0.43637 3.5503
125 3UCL FAD 0.00397 0.43466 3.5503
126 3UCL CYH 0.00397 0.43466 3.5503
127 4J36 FAD 0.0009291 0.43439 3.5503
128 1D1T NAD 0.0001316 0.43171 3.5503
129 5HSA FAS 0.002219 0.42829 3.5503
130 1ZH8 NAP 0.0008954 0.42784 3.5503
131 3ICR FAD 0.002522 0.42172 3.5503
132 3ICS FAD 0.002851 0.42064 3.5503
133 3ITJ FAD 0.005464 0.41918 3.5503
134 3S5W FAD 0.002562 0.41411 3.5503
135 3ICT FAD 0.004349 0.41206 3.5503
136 1H2B NAJ 0.01971 0.40698 3.5503
137 4IV9 FAD 0.009745 0.40071 3.5503
138 4B7X NAP 0.004585 0.40774 3.57143
139 4XB2 NDP 0.0001669 0.44153 3.58209
140 4XB2 HSE 0.0005699 0.44153 3.58209
141 3OA2 NAD 0.001511 0.40769 3.77358
142 4OHU 2TK 0.01567 0.40334 3.80623
143 4OHU NAD 0.01567 0.40334 3.80623
144 2FZW NAD 0.0002203 0.47205 3.84615
145 1RSG FAD 0.0003476 0.46271 3.84615
146 1X7D ORN 0.0005041 0.45024 3.84615
147 2VHW NAI 0.0004831 0.44975 3.84615
148 1X7D NAD 0.0002737 0.44966 3.84615
149 1PN0 FAD 0.001207 0.44518 3.84615
150 1PN0 IPH 0.001269 0.44518 3.84615
151 5UAO FAD 0.0007552 0.44427 3.84615
152 4OPC PGT 0.006098 0.44354 3.84615
153 4OPC FDA 0.00537 0.44301 3.84615
154 5MZI FYK 0.005581 0.42552 3.84615
155 3L9W AMP 0.001363 0.42503 3.84615
156 5MZI FAD 0.005531 0.42499 3.84615
157 4X9M FAD 0.005173 0.41208 3.84615
158 1KEW TYD 0.01109 0.40611 3.84615
159 1KEW NAD 0.01473 0.40162 3.84615
160 3OJF IMJ 0.009771 0.40161 3.89105
161 3HAD NAD 0.0001248 0.48771 3.8961
162 4HXY NDP 0.002913 0.4119 4.10959
163 1P0F NAP 0.0002178 0.45822 4.14201
164 2WET FAD 0.0007747 0.4472 4.14201
165 1PS9 FAD 0.001164 0.43988 4.14201
166 4WCX ALA 0.006917 0.42853 4.14201
167 3FWN ATR 0.001487 0.42747 4.14201
168 1PS9 NAP 0.000891 0.42633 4.14201
169 1X87 NAD 0.000465 0.42579 4.14201
170 3LXD FAD 0.001985 0.42362 4.14201
171 4KP7 NAP 0.007243 0.41235 4.14201
172 4KP7 1UQ 0.006526 0.41076 4.14201
173 5TUK FAD 0.003471 0.40475 4.14201
174 1X14 NAD 0.0148 0.40026 4.14201
175 1CF2 NAP 0.0000108 0.50109 4.1543
176 1JAY NAP 0.000004846 0.49445 4.24528
177 4XYM COA 0.01011 0.40099 4.34783
178 2IID FAD 0.002268 0.43868 4.41767
179 2IID PHE 0.002268 0.43868 4.41767
180 1FEC FAD 0.001104 0.44587 4.43787
181 1LJ8 NAD 0.0008783 0.44016 4.43787
182 1M2W NAD 0.0009105 0.43592 4.43787
183 5LD5 NAD 0.0003346 0.43113 4.43787
184 3GD4 NAD 0.001609 0.42573 4.43787
185 3KLJ FAD 0.001536 0.42563 4.43787
186 2I3G NAP 0.000295 0.42513 4.43787
187 3E1T FAD 0.004012 0.41957 4.43787
188 4OOE NDP 0.002277 0.41042 4.43787
189 2R4J 13P 0.01052 0.40862 4.43787
190 2R4J FAD 0.01052 0.40862 4.43787
191 3L4S 3PG 0.001194 0.43002 4.46429
192 3L4S NAD 0.001106 0.43002 4.46429
193 5X20 NAD 0.0001082 0.45759 4.48718
194 2GLX NDP 0.002791 0.40106 4.51807
195 4REP FAD 0.008637 0.4019 4.64646
196 1XHC FAD 0.0003823 0.45387 4.73373
197 2RAB FAD 0.0006905 0.45243 4.73373
198 2RAB NAD 0.001615 0.45243 4.73373
199 1UWK NAD 0.0008105 0.45052 4.73373
200 1UWK URO 0.0008105 0.45052 4.73373
201 2HQM FAD 0.0009221 0.44513 4.73373
202 3G5S FAD 0.001151 0.43562 4.73373
203 3WGT FAD 0.002441 0.43228 4.73373
204 3WGT QSC 0.002561 0.43228 4.73373
205 1RM4 NDP 0.01577 0.40391 4.74777
206 4K28 NAD 0.000233 0.45267 4.83271
207 4RDH AMP 0.0005489 0.47024 4.86111
208 1NVT NAP 0.000126 0.45021 4.87805
209 1WDK NAD 0.00001536 0.48157 5.02959
210 5BVA FAD 0.000588 0.45534 5.02959
211 3NKS FAD 0.001476 0.43121 5.02959
212 3ZNN FAD 0.007195 0.41864 5.02959
213 3ZNN 4WL 0.007195 0.41864 5.02959
214 1COY FAD 0.007785 0.4057 5.02959
215 1COY AND 0.01522 0.40457 5.02959
216 2C29 NAP 0.00119 0.41229 5.04451
217 3WV8 ATP 0.0002115 0.42105 5.04587
218 4D79 ATP 0.000389 0.40782 5.07246
219 4UP3 FAD 0.002807 0.42304 5.09554
220 1KYQ NAD 0.00003065 0.52256 5.10949
221 1KEV NDP 0.001584 0.42636 5.12821
222 1NYT NAP 0.0001809 0.45703 5.16605
223 1YJQ NAP 0.00003225 0.49296 5.28053
224 2A92 NAI 0.001843 0.42115 5.29595
225 1YQD NAP 0.00003315 0.49248 5.32544
226 4RQU NAD 0.0000862 0.46943 5.32544
227 4M52 FAD 0.0007081 0.44989 5.32544
228 3GFB NAD 0.00105 0.41868 5.32544
229 1D4D FAD 0.001967 0.43247 5.41958
230 1WPQ NAD 0.0002314 0.43792 5.44413
231 1GUZ NAD 0.0005936 0.43641 5.48387
232 1WP4 NDP 0.00003431 0.48339 5.53633
233 5FI3 NAP 0.00008497 0.47135 5.60224
234 2CUL FAD 0.0004577 0.44942 5.60345
235 2WPF WPF 0.0006319 0.486 5.6213
236 2WPF FAD 0.0007054 0.48226 5.6213
237 4JBI NDP 0.0006528 0.42786 5.6213
238 5JCM FAD 0.006152 0.42569 5.6213
239 5JCM NAD 0.006364 0.42569 5.6213
240 5JCM ISD 0.006364 0.42569 5.6213
241 1QO8 FAD 0.003397 0.42162 5.6213
242 3MJE NDP 0.004092 0.4047 5.6213
243 5J60 FAD 0.00172 0.43182 5.625
244 4YRY NAD 0.001752 0.44267 5.7971
245 4YRY FAD 0.001169 0.44086 5.7971
246 1BZL FAD 0.0008739 0.47854 5.91716
247 3UOY NAP 0.004979 0.43164 5.91716
248 3UOY FAD 0.004979 0.43164 5.91716
249 3NTA FAD 0.003462 0.41719 5.91716
250 3NT6 FAD 0.004014 0.41456 5.91716
251 4CNK FAD 0.004275 0.41344 5.91716
252 3WQQ IB3 0.007129 0.40729 5.91716
253 3WQQ NDP 0.007129 0.40729 5.91716
254 4Q9N NAI 0.005626 0.4005 6.04027
255 2HJR APR 0.0004663 0.42574 6.09756
256 5GZ6 NDP 0.0002256 0.46918 6.13497
257 5GZ6 7C3 0.000445 0.44873 6.13497
258 4II2 ATP 0.003403 0.41871 6.13497
259 2B4R NAD 0.00008567 0.47284 6.21302
260 1H82 GZZ 0.001278 0.45402 6.21302
261 1H82 FAD 0.001039 0.45402 6.21302
262 2VVM FAD 0.0005969 0.45076 6.21302
263 2B4R AES 0.0003521 0.44691 6.21302
264 1YQZ FAD 0.002154 0.44271 6.21302
265 1GPE FAD 0.004278 0.42025 6.21302
266 3NTD FAD 0.003777 0.41564 6.21302
267 1K3T BRZ 0.00328 0.41239 6.21302
268 3V1Y NAD 0.0000658 0.47048 6.23145
269 1DSS NAD 0.005507 0.42217 6.30631
270 5AYV NAP 0.00002814 0.47129 6.47249
271 5AYV KPL 0.0001532 0.46864 6.47249
272 5H81 NAP 0.000006078 0.53085 6.50888
273 1MUU NAD 0.00001938 0.49556 6.50888
274 1MV8 NAD 0.00002194 0.48908 6.50888
275 5MBX SP5 0.001188 0.4507 6.50888
276 5MBX FAD 0.001188 0.4507 6.50888
277 3QFA FAD 0.0008781 0.44601 6.50888
278 3AB1 FAD 0.001328 0.43645 6.50888
279 5FJN FAD 0.003163 0.4229 6.50888
280 5FJN BE2 0.003697 0.4229 6.50888
281 3IHG FAD 0.001976 0.41723 6.50888
282 1LVL FAD 0.03976 0.40255 6.50888
283 1EZ4 NAD 0.00125 0.42059 6.60377
284 1J0X NAD 0.0001199 0.48304 6.62651
285 1VI2 NAD 0.00003949 0.45957 6.66667
286 3ABI NAD 0.00003405 0.48708 6.80473
287 1MO9 KPC 0.001185 0.46598 6.80473
288 1MO9 FAD 0.001436 0.46165 6.80473
289 4EMI NAD 0.00126 0.45355 6.80473
290 4W6Z 8ID 0.01802 0.4119 6.80473
291 4EMI FAD 0.004996 0.41066 6.80473
292 3ETG GTP 0.007148 0.41001 6.80473
293 3ETG NDP 0.01042 0.40954 6.80473
294 3ETG GLU 0.01061 0.4092 6.80473
295 2Y6Q I7T 0.01013 0.40537 6.80473
296 2Y6Q FAD 0.004571 0.40537 6.80473
297 4J7U YTZ 0.01099 0.40041 6.80473
298 4J7U NAP 0.01099 0.40041 6.80473
299 1NPD NAD 0.00006377 0.47917 6.94444
300 4J4H NAI 0.000144 0.48302 6.94981
301 4J4H 1J1 0.000144 0.48302 6.94981
302 4JJF FE9 0.0002017 0.45323 6.97674
303 4JJF N2I 0.0002438 0.45323 6.97674
304 1P77 ATR 0.00006569 0.54668 6.98529
305 4J56 FAD 0.001487 0.43852 7.01754
306 2PV7 NAD 0.000002883 0.51601 7.04698
307 2DT5 NAD 0.00006034 0.45921 7.109
308 4YCA NDP 0.00001078 0.50112 7.14286
309 2F1K NAP 0.000001892 0.5306 7.16846
310 2DC1 NAD 0.0006381 0.43361 7.20339
311 3QV1 NAD 0.0003013 0.44103 7.31707
312 1JNR FAD 0.007405 0.42758 7.33333
313 2JHF NAD 0.002087 0.47321 7.39645
314 5BUK FAD 0.001422 0.43932 7.39645
315 5I39 FAD 0.003974 0.41473 7.39645
316 5JY6 NAD 0.0006813 0.45751 7.69231
317 1CDO NAD 0.0003506 0.44214 7.69231
318 1BXG NAD 0.0005093 0.43581 7.69231
319 1C1X NAD 0.0005134 0.43568 7.69231
320 2GAG NAD 0.001347 0.43283 7.69231
321 1BW9 NAD 0.000222 0.43127 7.69231
322 2GAG FOA 0.007308 0.41048 7.69231
323 2GAG FAD 0.008085 0.40864 7.69231
324 3GMB FAD 0.004966 0.40634 7.69231
325 1OMO NAD 0.0003081 0.43644 7.76398
326 3CTY FAD 0.0003733 0.46358 7.83699
327 2QZZ NAP 0.0001407 0.47284 7.86164
328 2QZZ EMF 0.0001513 0.47284 7.86164
329 1LDN NAD 0.0008897 0.4324 7.91139
330 1I36 NAP 0.00003573 0.46158 7.95455
331 1V59 FAD 0.0006697 0.45399 7.98817
332 1Q9I TEO 0.005023 0.42537 7.98817
333 1Q9I FAD 0.005023 0.42537 7.98817
334 5KKA 6V0 0.002291 0.41737 8.01282
335 4NTC FAD 0.00166 0.43351 8.0597
336 2DFV NAD 0.0004853 0.43827 8.28402
337 2EXX NAP 0.003833 0.41087 8.49673
338 5JCA FAD 0.0005867 0.45328 8.57988
339 5JCA NDP 0.001439 0.45178 8.57988
340 5CAE SIN 0.0005012 0.44515 8.57988
341 5CAE COA 0.000266 0.43859 8.57988
342 1NVM NAD 0.0006668 0.43738 8.57988
343 1O6Z NAD 0.001108 0.41537 8.58086
344 3KB6 NAD 0.0002434 0.4428 8.68263
345 4GUT FAD 0.0002693 0.4716 8.87097
346 4HSU FAD 0.0003437 0.46508 8.87097
347 1F06 2NP 0.00006217 0.48303 8.87574
348 1F06 NDP 0.00006217 0.48303 8.87574
349 1N7G GDR 0.007626 0.41683 8.87574
350 1N7G NDP 0.01899 0.40715 8.87574
351 4TM3 FAD 0.01851 0.40708 8.87574
352 2Q7V FAD 0.0008353 0.44584 8.92308
353 5JE8 NAD 0.00006972 0.47348 8.9404
354 5J7X FAD 0.0008504 0.44216 9.1716
355 1ORR NAD 0.003404 0.41174 9.1716
356 2B9W FAD 0.007747 0.41654 9.19811
357 5N53 8NB 0.02149 0.41533 9.23077
358 2VYN NAD 0.00003794 0.48348 9.36556
359 3A06 NDP 0.002529 0.41816 9.46746
360 3A06 FOM 0.002893 0.41816 9.46746
361 2O4C NAD 0.00007878 0.47428 9.47368
362 3QVP FAD 0.003855 0.42029 9.76331
363 4D3F NAP 0.00001105 0.48165 10
364 1V8B NAD 0.00003546 0.49582 10.0592
365 4ZGS NAD 0.0001402 0.44982 10.0592
366 1Z82 NDP 0.0002106 0.44547 10.1493
367 3TWO NDP 0.00001587 0.50848 10.355
368 3NJ4 NAD 0.0008339 0.48706 10.355
369 3NJ4 AFX 0.0008339 0.48706 10.355
370 2Z3Y F2N 0.0004169 0.46052 10.355
371 1E5Q NDP 0.0001332 0.44771 10.355
372 3GGO ENO 0.00001661 0.51619 10.5096
373 3GGO NAI 0.00001661 0.51619 10.5096
374 1J49 NAD 0.0003598 0.44498 10.5105
375 1GET NAP 0.00317 0.4409 10.6509
376 1GET FAD 0.002961 0.4409 10.6509
377 1O94 ADP 0.0003586 0.43297 10.6509
378 1DJN ADP 0.0003433 0.42961 10.6509
379 3AD8 NAD 0.001127 0.43232 10.8374
380 3AD8 PYC 0.01287 0.41288 10.8374
381 3AD8 FAD 0.01287 0.41288 10.8374
382 3WLE NAD 0.0003951 0.45329 10.8504
383 2V3B FAD 0.001814 0.42756 10.9091
384 2CDC XYP 0.0006807 0.46814 11.2426
385 2CDC NAP 0.0008526 0.46387 11.2426
386 2CDC XYS 0.0008526 0.46387 11.2426
387 2G5C NAD 0.00001502 0.50115 11.3879
388 1LSS NAD 0.0002313 0.42568 11.4286
389 3CGD FAD 0.001035 0.46741 11.5385
390 3CGD COA 0.001035 0.46741 11.5385
391 3CGD NAD 0.001035 0.46741 11.5385
392 2XVE FAD 0.00303 0.43703 11.8343
393 2XVF FAD 0.001486 0.43109 11.8343
394 4YSX FAD 0.002144 0.42787 11.8343
395 2DBZ NAP 0.0003958 0.44335 12.2754
396 2CDU FAD 0.001113 0.43502 12.7219
397 2CDU ADP 0.00007067 0.42505 12.7219
398 2HK9 NAP 0.0001457 0.45701 13.0909
399 2HK9 ATR 0.000009294 0.43188 13.0909
400 1YKJ FAD 0.001169 0.45644 13.3136
401 1YKJ PHB 0.001169 0.45644 13.3136
402 5BSH PRO 0.0001217 0.46832 13.3574
403 1FL2 FAD 0.001232 0.43669 13.5484
404 2F5Z FAD 0.0003568 0.46333 14.0625
405 4L8V NAP 0.001406 0.42309 14.2433
406 2AHR NAP 0.00009829 0.44295 14.2857
407 5L95 AMP 0.0001389 0.42733 15
408 3OND ADN 0.0001138 0.48837 15.6805
409 3OND NAD 0.0001138 0.48837 15.6805
410 1PJS NAD 0.000302 0.41059 15.9763
411 5M67 3D1 0.0001743 0.48158 16.2722
412 5M67 NAD 0.0001772 0.48128 16.2722
413 5M67 ADE 0.0002334 0.47623 16.2722
414 5N2I NAP 0.00001168 0.47408 17.6724
415 2YVJ FAD 0.006942 0.40375 28.4404
416 2YVJ NAI 0.0005982 0.40263 28.4404
Pocket No.: 2; Query (leader) PDB : 4XDY; Ligand: HIO; Similar sites found: 39
This union binding pocket(no: 2) in the query (biounit: 4xdy.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CFC NAD 0.02447 0.4172 None
2 4WXJ GLU 0.01026 0.40133 1.48699
3 5L92 C0R 0.02417 0.41556 1.77515
4 4OAG ADP 0.007818 0.42002 1.79104
5 2EV1 OLA 0.02577 0.40704 1.8018
6 2ABS ACP 0.04342 0.40768 2.07101
7 2P54 735 0.01503 0.42129 2.24719
8 5CMK GLU 0.01808 0.41396 2.3166
9 1VLJ NAP 0.04407 0.40384 2.36686
10 4LZJ 22H 0.00949 0.42891 2.9703
11 5VZ0 ADP 0.01265 0.41612 3.25444
12 4FWE FAD 0.03516 0.41748 3.26633
13 2CWH PYC 0.03679 0.41216 3.5503
14 3FRH SAH 0.02901 0.40882 3.55731
15 1F0X FAD 0.04103 0.41274 3.67776
16 3TAY MN0 0.02882 0.40496 4.29448
17 3N26 ARG 0.002405 0.45001 4.47154
18 3OVR 5SP 0.02158 0.40431 4.82456
19 2I0K FAD 0.01211 0.43489 5.02959
20 3B6C SDN 0.002543 0.40248 5.12821
21 5IGI GMP 0.04097 0.41029 5.98007
22 5IGI ZIT 0.04254 0.41029 5.98007
23 4LAE NAP 0.01353 0.44401 5.98802
24 4LAE 1VM 0.01353 0.44401 5.98802
25 2B3D FAD 0.01132 0.42153 6.37255
26 2R75 01G 0.0367 0.40013 6.80473
27 3EYA TDP 0.02306 0.41338 7.39645
28 1C1X HFA 0.00772 0.42241 7.69231
29 1BW9 PPY 0.009961 0.4179 7.69231
30 1U7Z PMT 0.02181 0.41598 7.9646
31 4LNU GTP 0.02977 0.40553 8.57988
32 1DEK DGP 0.02221 0.4035 9.12863
33 1W6U HXC 0.01283 0.42559 9.27152
34 1RM6 PCD 0.03702 0.41998 9.31677
35 2ZYJ PGU 0.02267 0.4093 9.76331
36 3GGF GVD 0.02301 0.401 10.299
37 3KXC PLM 0.01953 0.41198 11.3924
38 1NVV GNP 0.03548 0.40568 15.3846
39 2YVJ NAI 0.01299 0.41412 28.4404
Pocket No.: 3; Query (leader) PDB : 4XDY; Ligand: NAI; 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: 4xdy.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XDY; Ligand: HIO; 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: 4xdy.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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