-->
Receptor
PDB id Resolution Class Description Source Keywords
4XB2 2.43 Å EC: 1.-.-.- HYPERTHERMOPHILIC ARCHAEAL HOMOSERINE DEHYDROGENASE MUTANT I WITH NADPH PYROCOCCUS HORIKOSHII OT3 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF A HYPERTHERMOPHILIC ARCHAEAL HOMOSERINE DEHYDROGENASE SUGGEST A NOVEL COFACTOR B MODE FOR OXIDOREDUCTASES SCI REP V. 5 11674 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:1003;
A:1003;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NDP A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
HSE A:1002;
B:1002;
Valid;
Valid;
none;
none;
submit data
119.119 C4 H9 N O3 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XB2 2.43 Å EC: 1.-.-.- HYPERTHERMOPHILIC ARCHAEAL HOMOSERINE DEHYDROGENASE MUTANT I WITH NADPH PYROCOCCUS HORIKOSHII OT3 ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF A HYPERTHERMOPHILIC ARCHAEAL HOMOSERINE DEHYDROGENASE SUGGEST A NOVEL COFACTOR B MODE FOR OXIDOREDUCTASES SCI REP V. 5 11674 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4XB2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4XB1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4XB2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4XB1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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 6A0T - HSE C4 H9 N O3 C(CO)[C@@H....
2 6A0U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 6A0S Kd = 1.6 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 5X9D - 80F C24 H34 N8 O16 P2 S c1nc(c2c(n....
5 4XB2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4XB1 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
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 1DG 0.68 1
8 DG1 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 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Ligand no: 2; Ligand: HSE; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 HSE 1 1
2 SER 0.590909 0.821429
3 DSN 0.590909 0.821429
4 DAB 0.583333 0.766667
5 API 0.56 0.677419
6 NVA 0.56 0.666667
7 HCS 0.56 0.821429
8 DBB 0.521739 0.62069
9 2RA 0.521739 0.733333
10 ABA 0.521739 0.62069
11 GLN 0.518519 0.6875
12 DGL 0.518519 0.758621
13 GLU 0.518519 0.758621
14 DGN 0.518519 0.6875
15 GGL 0.518519 0.758621
16 C2N 0.5 0.655172
17 ORN 0.5 0.733333
18 DCY 0.5 0.75
19 CYS 0.5 0.75
20 NLE 0.482759 0.625
21 ONL 0.482759 0.6875
22 ASN 0.48 0.666667
23 ASP 0.48 0.758621
24 DAS 0.48 0.758621
25 MET 0.466667 0.617647
26 11C 0.466667 0.733333
27 MSE 0.466667 0.6
28 DLY 0.466667 0.709677
29 UN1 0.466667 0.733333
30 MED 0.466667 0.617647
31 LYS 0.451613 0.6875
32 DHH 0.451613 0.709677
33 AS2 0.444444 0.75
34 CSO 0.444444 0.676471
35 ONH 0.4375 0.648649
36 NPI 0.4375 0.709677
37 CSS 0.428571 0.625
38 6CL 0.424242 0.65625
39 2FM 0.424242 0.636364
40 26P 0.424242 0.666667
41 MEQ 0.424242 0.611111
42 HL5 0.419355 0.793103
43 CME 0.411765 0.705882
44 CIR 0.411765 0.605263
45 MF3 0.411765 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XB2; Ligand: NDP; Similar sites found with APoc: 936
This union binding pocket(no: 1) in the query (biounit: 4xb2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2BD0 NAP None
2 1R6D DAU 0.895522
3 1R6D NAD 0.895522
4 1HYH NAD 0.970874
5 5OVL NAP 1
6 5T9E NAP 1.10701
7 5OVK NDP 1.17188
8 5G3U FDA 1.19403
9 5G3U ITW 1.19403
10 5NC1 NAG 1.26582
11 3KO8 NAD 1.28205
12 1EQ2 NAP 1.29032
13 5DF1 58X 1.49254
14 5DF1 NAP 1.49254
15 2JHF NAD 1.49254
16 4BVA NDP 1.49254
17 4BVA T3 1.49254
18 4JWK CTN 1.5544
19 4CJX NAP 1.5674
20 3NUG NAD 1.61943
21 5CG1 NAD BBN 1.63934
22 1LUA NAP 1.74216
23 1PL6 NAD 1.79104
24 1PL6 572 1.79104
25 1PN0 FAD 1.79104
26 1PN0 IPH 1.79104
27 4EUE NAI 1.79104
28 4RSL FAD 1.79104
29 3FG2 FAD 1.79104
30 5ZEC NAP 1.79104
31 4GLL NAD 1.79104
32 1Z82 NDP 1.79104
33 3C6K MTA 1.79104
34 3C6K SPD 1.79104
35 1J78 OLA 1.79104
36 2C5S AMP 1.79104
37 5T67 JHZ 1.79104
38 5T67 SAH 1.79104
39 4IP7 FLC 1.79104
40 6GAS FAD 1.81269
41 2Q7V FAD 1.84615
42 3OIG NAD 1.8797
43 5NM7 GLY 1.8797
44 1QG6 NAD 1.91571
45 1QG6 TCL 1.91571
46 3HAD NAD 1.94805
47 3RJ5 NAD 1.9685
48 1XHL NDP 2.0202
49 1XSE NDP 2.0339
50 4CM9 NAP 2.08333
51 3BMO NAP 2.08333
52 4CLR NAP 2.08333
53 3BMQ NAP 2.08333
54 4CMI NAP 2.08333
55 3JQF NAP 2.08333
56 3JQG NAP 2.08333
57 3JQA NAP 2.08333
58 4CM8 NAP 2.08333
59 4CM4 NAP 2.08333
60 3BMN NAP 2.08333
61 3JQ9 NAP 2.08333
62 4CLO NAP 2.08333
63 4CME NAP 2.08333
64 1N5D NDP 2.08333
65 3JQ7 NAP 2.08333
66 3JQB NAP 2.08333
67 3JQ8 NAP 2.08333
68 1Z0N BCD 2.08333
69 2O4C NAD 2.08955
70 5M67 ADE 2.08955
71 5M67 NAD 2.08955
72 5M67 3D1 2.08955
73 1KEV NDP 2.08955
74 1UWK URO 2.08955
75 1UWK NAD 2.08955
76 5J5Z FAD 2.08955
77 5EIN NAP 2.08955
78 6EL3 NAP 2.08955
79 1UP7 NAD 2.08955
80 5HSA FAS 2.08955
81 5I39 FAD 2.08955
82 3QFA FAD 2.08955
83 3GDN HBX 2.08955
84 3GDN FAD 2.08955
85 5JWC FAD 2.08955
86 1KJ8 GAR 2.08955
87 5MBX SP5 2.08955
88 5MBX FAD 2.08955
89 1E5Q NDP 2.08955
90 2ZB4 NAP 2.08955
91 2ZB4 5OP 2.08955
92 5JAQ NAI 2.08955
93 5DOZ NDP 2.08955
94 4DSG UDP 2.08955
95 4DSG FAD 2.08955
96 4RPL 3UC 2.08955
97 4RPL FAD 2.08955
98 3WWX DIA 2.08955
99 4MDH NAD 2.09581
100 3CH6 311 2.0979
101 3CH6 NAP 2.0979
102 5MDH NAD 2.1021
103 1V6A TRE 2.10843
104 6BQ6 TER 2.1148
105 5MIT FAD 2.14067
106 5MIT NAP 2.14067
107 1XKQ NDP 2.14286
108 4FC7 COA 2.16606
109 4FC7 NAP 2.16606
110 4K26 NDP 2.17391
111 4K26 SFF 2.17391
112 5K4W NAI 2.18069
113 5K4W THR 2.18069
114 5T9F NAP 2.21402
115 5T9F TYR 2.21402
116 2VZ0 NAP 2.23881
117 2VZ0 D64 2.23881
118 2WD7 NAP 2.23881
119 5X20 NAD 2.24359
120 3O26 NDP 2.2508
121 5EO8 TFU 2.2508
122 2O07 MTA 2.30263
123 2O07 SPD 2.30263
124 2AE2 PTO 2.30769
125 2AE2 NAP 2.30769
126 4XT8 NAP 2.32558
127 4XT8 TMQ 2.32558
128 2P0D I3P 2.32558
129 3Q3C NAD 2.34114
130 3FGZ BEF 2.34375
131 5Y8L HUI 2.37288
132 5Y8L NAD 2.37288
133 1SC6 NAD 2.38806
134 4GKV NAD 2.38806
135 1BXK NAD 2.38806
136 1DLJ NAI 2.38806
137 1Q0H FOM 2.38806
138 1Q0H NDP 2.38806
139 1P0F NAP 2.38806
140 1KEW NAD 2.38806
141 4TM3 FAD 2.38806
142 1DLJ UGA 2.38806
143 3K5I AIR 2.38806
144 5BVA FAD 2.38806
145 1GPE FAD 2.38806
146 1KEW TYD 2.38806
147 5EZ7 FAD 2.38806
148 4TXI FAD 2.38806
149 5N0J FAD 2.38806
150 2GMH FAD 2.38806
151 1H82 GZZ 2.38806
152 1H82 FAD 2.38806
153 4ZCC FAD 2.38806
154 4ZCC NAI 2.38806
155 2VVL FAD 2.38806
156 4U8P FDA 2.38806
157 4U8P UDP 2.38806
158 2VVM FAD 2.38806
159 1NAA 6FA 2.38806
160 1NAA ABL 2.38806
161 1COY FAD 2.38806
162 1Q1R FAD 2.38806
163 1COY AND 2.38806
164 1LJ8 NAD 2.38806
165 2I3G NAP 2.38806
166 2ZB3 NDP 2.38806
167 1M2W NAD 2.38806
168 2BRY FAD 2.38806
169 3H5N ATP 2.38806
170 1DSS NAD 2.4024
171 5A96 GTP 2.40964
172 1PZG A3D 2.41692
173 1HDR NAD 2.45902
174 2IYL GDP 2.46479
175 3WXB NDP 2.50896
176 1WMA NDP 2.53623
177 1WMA AB3 2.53623
178 5MLR GRQ 2.6764
179 5MLR NAP 2.6764
180 1YKJ FAD 2.68657
181 1YKJ PHB 2.68657
182 1KOL NAD 2.68657
183 5EOW FAD 2.68657
184 3SQP FAD 2.68657
185 2IID FAD 2.68657
186 2IID PHE 2.68657
187 1RYD NDP 2.68657
188 4DPL NAP 2.68657
189 1H6C NDP 2.68657
190 1I8T FAD 2.68657
191 1H6C SIN 2.68657
192 1OBB NAD 2.68657
193 1TB4 PEJ 2.68657
194 4ZNO SUC 2.68657
195 1H9A NAP 2.68657
196 4RVG TYD 2.68657
197 5ZI9 FLC 2.69231
198 3CMC NAD 2.69461
199 1VDC FAD 2.7027
200 1LC3 NAD 2.72109
201 1LDM NAD 2.73556
202 3H8V ATP 2.73973
203 1O8B ABF 2.73973
204 2DKN NAI 2.7451
205 3O03 NAP 2.74914
206 2CVZ NDP 2.76817
207 4OHU NAD 2.76817
208 4OHU 2TK 2.76817
209 4G9N NGA 2.7972
210 2A92 NAI 2.80374
211 2PT9 2MH 2.80374
212 4O1M NAD 2.85714
213 5I7S E9P 2.89855
214 5I7S NAD 2.89855
215 3AY6 NAI 2.97398
216 3AY6 BGC 2.97398
217 1GZ4 ATP 2.98507
218 5TOW ADN 2.98507
219 5TOW NAI 2.98507
220 2AQJ FAD 2.98507
221 2AQJ TRP 2.98507
222 2DFV NAD 2.98507
223 3L9W AMP 2.98507
224 3TWO NDP 2.98507
225 1YB5 NAP 2.98507
226 1RYI FAD 2.98507
227 1RYI GOA 2.98507
228 5JCM FAD 2.98507
229 5JCM NAD 2.98507
230 5JCM ISD 2.98507
231 1DJN ADP 2.98507
232 3L9W GSH 2.98507
233 4YKG NAD 2.98507
234 1W73 NAP 2.98507
235 4YKG FAD 2.98507
236 1W8D NAP 2.98507
237 3NTD FAD 2.98507
238 3NT6 FAD 2.98507
239 1P77 ATR 2.98507
240 1QMG APX 2.98507
241 1W6U NAP 2.98507
242 1U8X NAD 2.98507
243 1F8G NAD 2.98507
244 3NTA FAD 2.98507
245 2JHP SAH 2.98507
246 4A0S NAP 2.98507
247 2X6T NAP 2.98507
248 5T2Y 753 3.0303
249 1U7T TDT 3.06513
250 1U7T NAD 3.06513
251 1GEE NAD 3.06513
252 1E3W NAD 3.06513
253 1E6W NAD 3.07692
254 2ZAT NAP 3.07692
255 3OA2 NAD 3.14465
256 3A4V NAD 3.15457
257 3A4V PYR 3.15457
258 1G0N NDP 3.18021
259 1G0N PHH 3.18021
260 2I7C AAT 3.18021
261 1ZK4 NAP 3.18725
262 1ZK4 AC0 3.18725
263 2F1K NAP 3.22581
264 1FL2 FAD 3.22581
265 1DIG L37 3.26797
266 1DIG NAP 3.26797
267 1PR9 NAP 3.27869
268 3FXU TSU 3.27869
269 3D3W NAP 3.27869
270 5OFI 9TQ 3.27869
271 4XYB NDP 3.28358
272 3B1J NAD 3.28358
273 1FEC FAD 3.28358
274 2FR1 NDP 3.28358
275 1MO9 FAD 3.28358
276 1MO9 KPC 3.28358
277 3B20 NAD 3.28358
278 5KOX RFP 3.28358
279 5KOX FAD 3.28358
280 2D2I NAP 3.28358
281 1REO FAD 3.28358
282 1ZH8 NAP 3.28358
283 1PS9 FAD 3.28358
284 3L4S NAD 3.28358
285 1E1M NAP 3.28358
286 1E1M FAD 3.28358
287 1RM4 NDP 3.28358
288 3X0V FAD 3.28358
289 3L4S 3PG 3.28358
290 5A04 NDP 3.28358
291 4J1Q NDP 3.28358
292 1LVL FAD 3.28358
293 5NA1 FAD 3.28358
294 4EDF UPG 3.28358
295 1GTE FAD 3.28358
296 4JJF N2I 3.28358
297 4JJF FE9 3.28358
298 1LVL NAD 3.28358
299 1PS9 NAP 3.28358
300 6A4R ASP 3.28358
301 1VCO GLN 3.28358
302 5A04 BGC 3.28358
303 4YUW 4JU 3.28947
304 4YUW S4M 3.28947
305 1AE1 NAP 3.2967
306 9LDB NAD 3.31325
307 9LDT NAD 3.31325
308 3QWI CUE 3.33333
309 3QWI NAP 3.33333
310 3GF4 UPG 3.33333
311 3GF4 FAD 3.33333
312 3FWN ATR 3.33333
313 5Y1G AKB 3.35366
314 5Y1G NAD 3.35366
315 1SOW NAD 3.35366
316 3FPF TNA 3.3557
317 3FPF MTA 3.3557
318 1FNZ A2G 3.37553
319 6F97 FAD 3.38983
320 4YCA NDP 3.40136
321 3C1O NAP 3.42679
322 1ZEM NAD 3.43511
323 3H4V NAP 3.47222
324 3H4V DVP 3.47222
325 3OID NDP 3.48837
326 5YRI GLC GLC 3.52113
327 5YRF GLC GLC 3.52113
328 5YRG BGC GLC 3.52113
329 5YRM BGC GLC 3.52113
330 5YRJ BGC GLC 3.52113
331 5KKA 6V0 3.52564
332 3ICC NAP 3.52941
333 4MP8 MLI 3.53982
334 4MP8 NAD 3.53982
335 3WCS MAN NAG 3.54331
336 2QRK AMP 3.5533
337 1GET NAP 3.55556
338 1GET FAD 3.55556
339 3SJ7 NDP 3.57143
340 1LLU NAD 3.58209
341 5GUD NDP 3.58209
342 1OC2 TDX 3.58209
343 1OC2 NAD 3.58209
344 1Z45 NAD 3.58209
345 2C29 NAP 3.58209
346 5GUD 2IT 3.58209
347 5GUD CIT 3.58209
348 1X87 NAD 3.58209
349 5OC1 FAD 3.58209
350 2DKH FAD 3.58209
351 5WGR FAD 3.58209
352 2DKH 3HB 3.58209
353 4XDY NAI 3.58209
354 5TUF TDC 3.58209
355 2C29 DQH 3.58209
356 1YQZ FAD 3.58209
357 1N7G NDP 3.58209
358 1N7G GDR 3.58209
359 2YG3 FAD 3.58209
360 3DAG FEG 3.58209
361 4TSK NDP 3.58209
362 5TUF FAD 3.58209
363 5UAV NDP 3.58209
364 3NKS FAD 3.58209
365 3I6I NDP 3.58209
366 5UAV TFB 3.58209
367 6FUL PG0 3.58209
368 2EXX NAP 3.59477
369 2CFC NAD 3.6
370 3HVJ 705 3.61991
371 4QED NAP 3.62903
372 1C3V NDP 3.67347
373 2PV7 NAD 3.69128
374 5O9F 9ON 3.69318
375 5O9F NAD 3.69318
376 3F8D FAD 3.71517
377 1OMO NAD 3.72671
378 5D4V SAH 3.73134
379 1JAY NAP 3.77358
380 1O94 ADP 3.78788
381 1WP4 NDP 3.80623
382 2VTD LKM 3.82022
383 2WYV NAD 3.83142
384 5ZZ6 NAD 3.84615
385 5ZZ6 ADP 3.84615
386 4JK3 NAD 3.861
387 4J4H NAI 3.861
388 4J4H 1J1 3.861
389 2NAD NAD 3.8806
390 2Q1S NAI 3.8806
391 1X7D ORN 3.8806
392 1LTH NAD 3.8806
393 5LD5 NAD 3.8806
394 1X7D NAD 3.8806
395 2YY7 NAD 3.8806
396 1BZL FAD 3.8806
397 1BZL GCG 3.8806
398 3H9E NAD 3.8806
399 4AP3 FAD 3.8806
400 4AP3 NAP 3.8806
401 1F8F NAD 3.8806
402 1WDK NAD 3.8806
403 4NTC FAD 3.8806
404 1PJS NAD 3.8806
405 3WGT FAD 3.8806
406 3WGT QSC 3.8806
407 6FP4 E1T 3.8806
408 6FP4 FAD 3.8806
409 4MIG G3F 3.8806
410 2IZ1 ATR 3.8806
411 2C7G ODP 3.8806
412 2C7G FAD 3.8806
413 4USR FAD 3.8806
414 3K7M FAD 3.8806
415 3V1U NAD 3.8806
416 5ZBC FAD 3.8806
417 4W6Z 8ID 3.8806
418 4PVD NDP 3.8806
419 1TI7 NAP 3.8806
420 4M3P HCS 3.8806
421 1FK8 NAD 3.89105
422 3OJF NDP 3.89105
423 3OJF IMJ 3.89105
424 3KB6 NAD 3.89222
425 6CEP OXM 3.89222
426 6CEP NAD 3.89222
427 1J49 NAD 3.9039
428 3LZW FAD 3.91566
429 3LZW NAP 3.91566
430 2B4Q NAP 3.98551
431 5GZ6 7C3 3.98773
432 5GZ6 NDP 3.98773
433 1JNR FAD 4
434 1VI2 NAD 4
435 5O4J PJL 4.0146
436 5O4J 9KH 4.0146
437 5O4J SAH 4.0146
438 1JQ3 AAT 4.05405
439 5L4S 6KX 4.08805
440 5L4S NAP 4.08805
441 1Q7B NAP 4.09836
442 5XQL C2E 4.12371
443 3WV8 ATP 4.12844
444 4NBT NAD 4.16667
445 1NPD NAD 4.16667
446 1OFZ FUL 4.16667
447 1OFZ FUC 4.16667
448 5AHO TLA 4.16667
449 1C1X NAD 4.1791
450 1BXG NAD 4.1791
451 2VHW NAI 4.1791
452 1T26 GBD 4.1791
453 1T26 NAI 4.1791
454 5BJX NAD 4.1791
455 6F3N NAD 4.1791
456 6F3N ADN 4.1791
457 5BJX UDP 4.1791
458 1SAY PYR 4.1791
459 1BW9 NAD 4.1791
460 2GV8 FAD 4.1791
461 2GVC FAD 4.1791
462 3E1T FAD 4.1791
463 2YVF FAD 4.1791
464 2YVF NAD 4.1791
465 5BSH PRO 4.1791
466 1N1G BCP 4.1791
467 6F3M NAD 4.1791
468 2GV8 NDP 4.1791
469 1VQW FAD 4.1791
470 1GUZ NAD 4.19355
471 2DM6 IMN 4.2042
472 2DM6 NAP 4.2042
473 5NUE NAD 4.21687
474 5NUF NAD 4.21687
475 6CI9 NAP 4.2471
476 1ZBQ NAD 4.28135
477 2Q2V NAD 4.31373
478 1GZ6 NAI 4.38871
479 1DRV A3D 4.3956
480 2D2F ADP 4.4
481 4UP3 FAD 4.4586
482 3GGO NAI 4.4586
483 3GGO ENO 4.4586
484 4UP3 NDP 4.4586
485 1HKU NAD 4.47761
486 5YU3 NAD 4.47761
487 5YU3 PRO 4.47761
488 2CDC XYP 4.47761
489 2CDC XYS 4.47761
490 5Y77 FAD 4.47761
491 5MZI FYK 4.47761
492 5MZI FAD 4.47761
493 3QVP FAD 4.47761
494 1SB8 UD2 4.47761
495 1SB8 NAD 4.47761
496 2R4J 13P 4.47761
497 2R4J FAD 4.47761
498 1EZ4 NAD 4.47761
499 5A1T NAI 4.47761
500 5A1T OXM 4.47761
501 2OOR NAD 4.47761
502 2CDC NAP 4.47761
503 1L7E NAI 4.47761
504 4X1B MLI 4.47761
505 3BAZ NAP 4.5045
506 1J0X NAD 4.51807
507 4EA7 JB2 4.54545
508 4EA7 COA 4.54545
509 3MAG SAH 4.56026
510 5U8U FAD 4.5738
511 3FPZ AHZ 4.60123
512 3LAD FAD 4.62185
513 3AFN NAP 4.65116
514 2F5Z FAD 4.6875
515 1GEG NAD 4.6875
516 5VKT NAP 4.69613
517 3MCT SAH 4.7138
518 5TC4 NAD 4.74684
519 3NJ4 NAD 4.77612
520 1GR0 NAD 4.77612
521 3NJ4 AFX 4.77612
522 3GFB NAD 4.77612
523 3A06 FOM 4.77612
524 3A06 NDP 4.77612
525 4BJZ P3A 4.77612
526 4BJZ FAD 4.77612
527 4IV9 FAD 4.77612
528 1RKX NAD 4.77612
529 4CSD MFU 4.77941
530 1G8S MET 4.78261
531 4D3F NAP 4.83871
532 2GCG NDP 4.84848
533 4RDH AMP 4.86111
534 4RDI ATP 4.86111
535 5Z2L NDP 4.89796
536 1I36 NAP 4.92424
537 1NM5 NAD 4.92611
538 2G5C NAD 4.98221
539 2RH4 EMO 5.05415
540 3VZS NAP 5.05837
541 3VZS CAA 5.05837
542 1LDN NAD 5.06329
543 3OND ADN 5.07463
544 3OND NAD 5.07463
545 1H2B NAJ 5.07463
546 3OJO NAD 5.07463
547 5BUK FAD 5.07463
548 2XVE FAD 5.07463
549 2XVF FAD 5.07463
550 6GAR FAD 5.07463
551 5EB4 FAD 5.07463
552 2C5A GDC 5.07463
553 2C5A NAD 5.07463
554 3AYI HCI 5.07463
555 3AYI FAD 5.07463
556 3QJ4 FAD 5.07463
557 1GY8 NAD 5.07463
558 1Y8Q ATP 5.07463
559 3HDY GDU 5.07463
560 3HDY FDA 5.07463
561 4AT0 FAD 5.07463
562 3HDY FAD 5.07463
563 1KYQ NAD 5.10949
564 1GAD NAD 5.15152
565 2PZM NAD 5.15152
566 2PZM UDP 5.15152
567 1YQD NAP 5.19126
568 4USI AKG 5.19481
569 4OOE FOM 5.19802
570 4OOE NDP 5.19802
571 2CVQ NDP 5.19878
572 3WBF NAP 5.2459
573 3WBF API 5.2459
574 5EES NAP 5.26316
575 6AIN FAD 5.26316
576 3WLE NAD 5.27859
577 1O6Z NAD 5.28053
578 2DBZ NAP 5.37313
579 2GZ3 NAP 5.37313
580 2HQM FAD 5.37313
581 1V59 FAD 5.37313
582 3ZNN 4WL 5.37313
583 3ZNN FAD 5.37313
584 1D4D FAD 5.37313
585 5W3K 9TY 5.37313
586 5W3K NDP 5.37313
587 1V59 NAD 5.37313
588 4HXY NDP 5.37313
589 1VJT NAD 5.37313
590 1N9G NAP 5.37313
591 3IHG FAD 5.37313
592 4D52 GXL 5.39683
593 4D4U FUC GAL NAG 5.39683
594 4D79 ATP 5.43478
595 4ZRN NAD 5.44872
596 4ZRN UPG 5.44872
597 5O42 NAD 5.47445
598 5O42 BGC 5.47445
599 5O42 9JW 5.47445
600 1UXG FUM 5.50162
601 1UXG NAD 5.50162
602 4XUC 43G 5.50459
603 4XUC SAM 5.50459
604 6F7X MFU 5.55556
605 5AOA PPI 5.59441
606 3ITJ FAD 5.6213
607 5JE8 NAD 5.62914
608 6AA8 NAD 5.62914
609 6DZN AE3 5.6338
610 1H5Q NAP 5.66038
611 5Z21 NAI 5.67164
612 4L8V NAP 5.67164
613 1GQ2 NAP 5.67164
614 1VKO NAD 5.67164
615 5Z20 NAI 5.67164
616 2GSD NAD 5.67164
617 1E3I CXF 5.67164
618 2FZW NAD 5.67164
619 5UAO FAD 5.67164
620 3S5W FAD 5.67164
621 3CIF NAD 5.67164
622 1D1T NAD 5.67164
623 3CIF G3H 5.67164
624 3S5W NAP 5.67164
625 4USQ FAD 5.67164
626 5KVA SAM 5.67164
627 2DTX BMA 5.68182
628 6BII NAP 5.70571
629 4KOA NDP 5.70571
630 4IDC 1XX 5.72289
631 4IDC NDP 5.72289
632 1D7O TCL 5.72391
633 1D7O NAD 5.72391
634 3NGL NAP 5.7971
635 3AB1 FAD 5.83333
636 4TQG NDP 5.88235
637 1M0S CIT 5.93607
638 2RGH FAD 5.95447
639 2ZJ1 ARJ 5.97015
640 2ZJ1 NAD 5.97015
641 5X68 FAD 5.97015
642 5TWB FAD 5.97015
643 6BWL NAD 5.97015
644 4RQU NAD 5.97015
645 5IN4 6CK 5.97015
646 5IN4 GDP 5.97015
647 5IN4 NAP 5.97015
648 2RGO FAD 5.97015
649 1WPQ NAD 5.97015
650 4II2 ATP 6.0241
651 2VT3 ATP 6.04651
652 1WVG APR 6.12813
653 4J56 FAD 6.14035
654 3B1F NAD 6.2069
655 5AOV NAP 6.26866
656 1CF2 NAP 6.26866
657 4OPC FDA 6.26866
658 4OPC PGT 6.26866
659 3NYC IAR 6.26866
660 3NYC FAD 6.26866
661 3G5S FAD 6.26866
662 5H81 NAP 6.26866
663 4R5M 4NO 6.26866
664 5KMS NAD 6.26866
665 5E4R NAP 6.26866
666 1KNR FAD 6.26866
667 4XDZ NDP 6.26866
668 4R5M NAP 6.26866
669 4C3Y FAD 6.26866
670 5KMS FAD 6.26866
671 4C3Y ANB 6.26866
672 1R37 NAD 6.26866
673 3SSO SAH 6.26866
674 5TDF 7A3 6.26866
675 1YJQ NAP 6.27063
676 1ZQ9 SAM 6.31579
677 1VKF CIT 6.38298
678 3VY6 BGC BGC 6.38298
679 3O9Z NAD 6.41026
680 3O9Z AKG 6.41026
681 4MO2 FAD 6.52174
682 4MO2 FDA 6.52174
683 1OAA OAA 6.56371
684 2AHR NAP 6.56371
685 1UDB UFG 6.56716
686 1UDB NAD 6.56716
687 2YYY NAP 6.56716
688 4MOP 2H5 6.56716
689 2NVK FAD 6.56716
690 5MSO NAP 6.56716
691 2NVK NAP 6.56716
692 4J7U YTZ 6.59722
693 4J7U NAP 6.59722
694 4ZVV GN0 6.62651
695 4ZVV NAD 6.62651
696 2DT5 NAD 6.63507
697 1RP0 AHZ 6.69014
698 1FWV SGA MAG FUC 6.71642
699 1J5P NAD 6.71937
700 1Z6Z NAP 6.73759
701 3RFV NAI 6.74157
702 3RFV 15L 6.74157
703 2QA1 FAD 6.8
704 3OZ2 FAD 6.80101
705 2EV9 SKM 6.84411
706 2EV9 NAP 6.84411
707 1E7S NAP 6.85358
708 3KLJ FAD 6.86567
709 2GN4 NDP 6.86567
710 2GN4 UD1 6.86567
711 4EMI NAD 6.86567
712 4HA6 FAD 6.86567
713 4EMI FAD 6.86567
714 4EMJ FAD 6.86567
715 1RPN NDP 6.86567
716 4REP FAD 6.86567
717 6HQD SRT 6.86567
718 1YKF NAP 6.86567
719 5OJI NAP 6.92308
720 5OJI ISN 6.92308
721 1HDG NAD 6.92771
722 2JDU MFU 6.95652
723 2Q0L FAD 7.07396
724 2Q0L NAP 7.07396
725 4D42 W0I 7.0922
726 4D42 NAP 7.0922
727 1K3T BRZ 7.16418
728 2B5W NAP 7.16418
729 4YNU FAD 7.16418
730 4YNU LGC 7.16418
731 2IVD FAD 7.16418
732 1ELI PYC 7.16418
733 1XCL SAH 7.23404
734 1V35 NAI 7.29483
735 1NVM NAD 7.37179
736 4XYM COA 7.3913
737 5FJN FAD 7.45614
738 5FJN BE2 7.45614
739 1EK6 NAI 7.46269
740 1EK6 UPG 7.46269
741 3V1Y NAD 7.46269
742 1Q9I FAD 7.46269
743 1Q9I TEO 7.46269
744 1ZK7 FAD 7.46269
745 1X14 NAD 7.46269
746 4PIV NDP 7.46269
747 3NDJ SAH 7.46269
748 3NDJ JHZ 7.46269
749 1VL8 NAP 7.49064
750 2Q1W NAD 7.50751
751 1CER NAD 7.55287
752 6DNT NAD 7.55814
753 2RI1 GLP 7.65957
754 5UR0 NAD 7.73639
755 1NYT NAP 7.74908
756 2RGJ FAD 7.76119
757 2A8X FAD 7.76119
758 2ZXI FAD 7.76119
759 2GLX NDP 7.76119
760 5YB7 FAD 7.76119
761 5YB7 ORN 7.76119
762 1ORR NAD 7.76119
763 2BKA NDP 7.85124
764 5XWV 8H6 7.8629
765 5XWV NDP 7.8629
766 2AOT SAH 7.87671
767 1VM6 NAD 7.89474
768 3ORF NAD 7.96813
769 4G5H NAP 8.0597
770 4G5H UD7 8.0597
771 4Y1B NAP 8.0597
772 4XZ3 COA 8.0597
773 4UZI IMD 8.0597
774 1GV0 NAD 8.06452
775 4URF NAD 8.06452
776 3AD8 NAD 8.08081
777 3AD8 PYC 8.08081
778 3AD8 FAD 8.08081
779 2VYN NAD 8.08383
780 4Z0H NAD 8.08383
781 4B4U NAP 8.25082
782 2HMT NAI 8.33333
783 3ABI NAD 8.35821
784 4Q9N NAI 8.38926
785 1F06 2NP 8.4375
786 1F06 NDP 8.4375
787 1NFQ NAI 8.46154
788 3JUC PCA 8.49673
789 1P1C SAH 8.54271
790 1TDF NAP 8.5443
791 1TDF FAD 8.5443
792 5BRT FAD 8.65672
793 5BRT CH9 8.65672
794 1PGP 6PG 8.65672
795 5TUK FAD 8.65672
796 4ZA2 NAD 8.69565
797 3DXY SAM 8.7156
798 1A5Z NAD 8.77743
799 6F9Q NAD 8.82353
800 2Y6Q FAD 8.95522
801 2Y6Q I7T 8.95522
802 1I2B USQ 8.95522
803 1I2B NAD 8.95522
804 1I2B UPG 8.95522
805 4JBI NDP 8.95522
806 3WXL ADP 8.95522
807 5JY6 NAD 8.98876
808 2NU8 COA 9.25373
809 2NPX NAD 9.25373
810 5ZYN FAD 9.25373
811 1Y1P NMN AMP PO4 9.25373
812 2NPX FAD 9.25373
813 1NV8 MEQ 9.25373
814 1NV8 SAM 9.25373
815 1LSS NAD 9.28571
816 3VPH NAD 9.35484
817 3VPH OXM 9.35484
818 3R51 MMA 9.375
819 5N2I NAP 9.48276
820 2E5V FAD 9.55224
821 3ZV6 NAD 9.60854
822 3ZV6 4HB 9.60854
823 5B4T NAD 9.61539
824 5B4T 3HR 9.61539
825 3ULK NDP 9.77597
826 2PD4 NAD 9.81818
827 2PD4 DCN 9.81818
828 2WSB NAD 9.84252
829 5DN9 NAD 9.85075
830 2WPF FAD 9.85075
831 2WPF WPF 9.85075
832 4J36 1HR 9.85075
833 4J36 FAD 9.85075
834 5N6C NAD 10
835 1V8B NAD 10.0209
836 1MUU NAD 10.1493
837 5TS5 FAD 10.1493
838 4CNK FAD 10.1493
839 5AYV KPL 10.356
840 5AYV NAP 10.356
841 1MV8 NAD 10.4478
842 1QO8 FAD 10.4478
843 4JNA FAD 10.4478
844 1P3D UMA 10.4478
845 1P31 EPU 10.4478
846 1NVT NAP 10.453
847 2HK9 NAP 10.5455
848 2HK9 ATR 10.5455
849 2IXB NAD 10.7463
850 2JB2 FAD 10.7463
851 2JB2 PHE 10.7463
852 2IXB A2G 10.7463
853 2GDZ NAD 10.8614
854 5YEC ATP 10.9244
855 3QV1 NAD 10.9756
856 5EJ2 NAD 11.039
857 1U1I NAD 11.0448
858 1O0S NAI 11.0448
859 5KVS 6XR 11.1688
860 5KVS NAP 11.1688
861 4U7W NDP 11.3433
862 2VOH CIT 11.5385
863 1RJW ETF 11.6418
864 1U3U BNF 11.6418
865 1U3U NAD 11.6418
866 4D04 FAD 11.6418
867 4D04 NAP 11.6418
868 4GPS CIT 11.6418
869 1NNU TCT 11.6667
870 1NNU NAD 11.6667
871 2Q46 NAP 11.8577
872 5CAE SIN 11.9403
873 5CAE COA 11.9403
874 3HB5 NAP 11.9403
875 1YS4 NAP 11.9403
876 1HYE NAP 12.1406
877 5ZI2 NAD 12.1739
878 5ZI2 ADP 12.1739
879 1C0I BE2 12.2388
880 1C0I FAD 12.2388
881 2CDU FAD 12.5373
882 2CDU ADP 12.5373
883 5L95 AMP 12.5448
884 3LU1 NAD 12.6374
885 4CQM NAP 12.7049
886 2B4R NAD 12.8358
887 2B4R AES 12.8358
888 3UCL NAP 12.8358
889 3UCL CYH 12.8358
890 3UCL FAD 12.8358
891 2YVJ NAI 12.844
892 2YVJ FAD 12.844
893 4JDR FAD 13.1343
894 1O5I NAD 13.4328
895 5OFW 9TW 13.4529
896 4IF4 BEF 13.4615
897 1RSG FAD 13.7313
898 1A27 NAP 13.8408
899 4M52 FAD 14.0299
900 4M52 M52 14.0299
901 1YY5 FAD 14.0299
902 1X1T NAD 14.2308
903 3ETG GLU 14.3284
904 3ETG GTP 14.3284
905 5JCA FAD 14.3284
906 5JCA NDP 14.3284
907 3ETG NDP 14.3284
908 1EJ0 SAM 14.4444
909 1CDO NAD 14.6269
910 1E6E FAD 14.8438
911 4EIP FAD 14.9254
912 4EIP K2C 14.9254
913 4KQW NAP 15.1429
914 4YSX FAD 15.2482
915 2DC1 NAD 15.678
916 2VUT NAD 16.2791
917 2GUC MAN 16.3934
918 2GUD MAN 16.3934
919 5N53 8NB 16.4103
920 5FI3 NAP 16.5266
921 1RM0 D6P 17.9104
922 1RM0 NAI 17.9104
923 1Q19 SSC 19.1045
924 5OOH NAP 19.4175
925 5OOH 9ZZ 19.4175
926 2BOS GLA GAL GLC NBU 22.0588
927 2BOS GLA GAL GLC 22.0588
928 4XQC NAD 23.2836
929 4XQC 13D 23.2836
930 5ODQ FAD 23.3696
931 3WQQ IB3 30.4478
932 3WQQ NDP 30.4478
933 4KP7 NAP 30.4478
934 4KP7 1UQ 30.4478
935 3RNM FAD 37.931
936 1EBF NAD 43.8547
Pocket No.: 2; Query (leader) PDB : 4XB2; Ligand: NDP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 4xb2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1OYF MHN 2.47934
2 4CR6 MAN 2.58303
3 6CAM BGC 2.98507
4 1UJ5 5RP 3.0837
5 2Z9I GLY ALA THR VAL 3.39506
6 2XOC ADP 3.44828
7 5YRL GLC GLC 3.52113
8 4YH2 GSH 3.6036
9 6G47 SIA 4.30622
10 5HWK BEZ 5
11 2ZL4 ALA ALA ALA ALA 5.10204
12 4XW2 SIM 5.55556
13 3EJ0 11X 5.61225
14 2P3V SRT 7.03125
15 1JG3 ADN 7.65957
16 6FLZ MMA 10.4167
Pocket No.: 3; Query (leader) PDB : 4XB2; Ligand: HSE; Similar sites found with APoc: 877
This union binding pocket(no: 3) in the query (biounit: 4xb2.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2BD0 NAP None
2 3EGI ADP None
3 1R6D DAU 0.895522
4 1R6D NAD 0.895522
5 1HYH NAD 0.970874
6 5OVL NAP 1
7 5T9E NAP 1.10701
8 5OVK NDP 1.17188
9 5G3U FDA 1.19403
10 5G3U ITW 1.19403
11 3KO8 NAD 1.28205
12 1EQ2 NAP 1.29032
13 4BVA NDP 1.49254
14 5DF1 58X 1.49254
15 5DF1 NAP 1.49254
16 2JHF NAD 1.49254
17 4BVA T3 1.49254
18 4JWK CTN 1.5544
19 4CJX NAP 1.5674
20 3NUG NAD