Receptor
PDB id Resolution Class Description Source Keywords
3IHG 2.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF AKLAVINONE-11 HYDROXYLASE WITH FAD AND AKLAVINONE STREPTOMYCES PURPURASCENS FLAVOENZYME ANTHRACYCLINE POLYKETIDE BIOSYNTHESIS MEROHEDRAL TWINNING ENZYME MECHANISM HYDROXYLASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND SPECIFICITY IN AKLAVINONE-11-HYDROXYLASE FROM RHODOMYCIN BIOSYNTHESIS. J.MOL.BIOL. V. 393 966 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:536;
B:536;
C:536;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 A:538;
A:539;
A:540;
A:541;
A:542;
A:543;
A:544;
A:545;
A:546;
B:538;
B:539;
B:541;
B:542;
C:538;
C:539;
C:540;
C:541;
C:542;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
VAK A:537;
B:537;
C:537;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
412.389 C22 H20 O8 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IHG 2.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF AKLAVINONE-11 HYDROXYLASE WITH FAD AND AKLAVINONE STREPTOMYCES PURPURASCENS FLAVOENZYME ANTHRACYCLINE POLYKETIDE BIOSYNTHESIS MEROHEDRAL TWINNING ENZYME MECHANISM HYDROXYLASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION AND SPECIFICITY IN AKLAVINONE-11-HYDROXYLASE FROM RHODOMYCIN BIOSYNTHESIS. J.MOL.BIOL. V. 393 966 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3IHG - VAK C22 H20 O8 CC[C@]1(C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Ligand no: 2; Ligand: VAK; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 VAK 1 1
2 3VL 0.59633 0.627119
3 AKY 0.492537 0.616667
4 5VD 0.484211 0.897436
5 AKV 0.411765 0.897436
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IHG; Ligand: FAD; Similar sites found: 615
This union binding pocket(no: 1) in the query (biounit: 3ihg.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.004357 0.44366 None
2 2BOS GLA GAL GLC NBU 0.01584 0.42325 None
3 1H6C NDP 0.005645 0.40243 1.61663
4 3Q9T FAY 0.00007813 0.4771 1.68224
5 1E1M FAD 0.00000005474 0.62327 1.73913
6 1E1M NAP 0.00000005474 0.44546 1.73913
7 2QRK AMP 0.003083 0.4139 1.77665
8 2BH9 NAP 0.009146 0.41606 1.84049
9 1SQF SAM 0.008392 0.4109 1.8648
10 1GQ2 NAP 0.0004004 0.43661 1.86916
11 5H81 NAP 0.005408 0.40978 1.86916
12 1D1T NAD 0.001213 0.40503 1.87668
13 4CJX NAP 0.0009854 0.41346 1.88088
14 3ABI NAD 0.0002564 0.43877 1.91781
15 1UXG NAD 0.00007867 0.47698 1.94175
16 5JE8 NAD 0.0004523 0.44447 1.98676
17 1N2X SAM 0.003126 0.41673 1.99336
18 2R4J 13P 0.00000196 0.55787 1.99601
19 2R4J FAD 0.00000196 0.4165 1.99601
20 2IBN I1N 0.003621 0.46102 2
21 2ZIF SAM 0.00252 0.43077 2.0202
22 1LJ8 NAD 0.007358 0.4041 2.0284
23 1M2W NAD 0.008598 0.40122 2.0284
24 4YCA NDP 0.0001234 0.46329 2.04082
25 4YNU FAD 0.0000013 0.55632 2.05607
26 4YNU LGC 0.000003056 0.54639 2.05607
27 1X87 NAD 0.00004168 0.45168 2.05607
28 1VKO NAD 0.001422 0.40299 2.05607
29 1R6D NAD 0.002081 0.4339 2.07715
30 1R6D DAU 0.001987 0.4339 2.07715
31 3FWN ATR 0.004571 0.40267 2.08333
32 2O4C NAD 0.001853 0.41408 2.10526
33 5T67 JHZ 0.007362 0.4055 2.16346
34 4TQG NDP 0.001905 0.41081 2.16718
35 1LTH NAD 0.00009903 0.47495 2.19436
36 3LU1 NAD 0.001563 0.40548 2.1978
37 1EJ0 SAM 0.0007086 0.45924 2.22222
38 3UCL FAD 0.000001124 0.57971 2.24299
39 3UCL NAP 0.000001314 0.57971 2.24299
40 3UCL CYH 0.000001124 0.57971 2.24299
41 1YBH P22 0.01331 0.41958 2.24299
42 1VJT NAD 0.001592 0.43956 2.27743
43 3S1S SAH 0.006816 0.40262 2.2779
44 3GFB NAD 0.001465 0.418 2.28571
45 1U1I NAD 0.0002633 0.421 2.29592
46 1VI2 NAD 0.001705 0.43107 2.33333
47 2WET FAD 0.00000005418 0.50176 2.34834
48 2Q1S NAI 0.0007526 0.44367 2.38727
49 4KOA NDP 0.00201 0.44283 2.4024
50 2GLX NDP 0.006358 0.40107 2.40964
51 2FZW NAD 0.001302 0.43408 2.41287
52 3B1F NAD 0.00004323 0.49873 2.41379
53 5MBX FAD 0.0000002802 0.59518 2.41449
54 5MBX SP5 0.0000002802 0.59518 2.41449
55 3EF0 ALF 0.01606 0.42123 2.41935
56 3GEG NAD 0.00157 0.41109 2.42915
57 3NT6 FAD 0.00000001114 0.62932 2.42991
58 3NTA FAD 0.00000001088 0.53724 2.42991
59 3AYI FAD 0.0000003405 0.43953 2.42991
60 3AYI HCI 0.0000003647 0.43542 2.42991
61 2GZ3 NAP 0.009955 0.40265 2.42991
62 1NPD NAD 0.001156 0.43135 2.43056
63 3MBI HSX 0.01486 0.4213 2.43902
64 5AOA PPI 0.04768 0.40018 2.44755
65 2V6G NAP 0.001482 0.4178 2.47253
66 1OMO NAD 0.000329 0.45365 2.48447
67 1HKU NAD 0.001552 0.40543 2.51397
68 3T31 DCQ 0.0000002007 0.60359 2.51716
69 3T31 FAD 0.0000001756 0.60359 2.51716
70 1MUU NAD 0.0001657 0.46196 2.52294
71 1XCL SAH 0.0008055 0.41147 2.55319
72 3VC1 SAH 0.009046 0.40028 2.5641
73 3FUU ADN 0.00007857 0.49716 2.58303
74 3S5W FAD 0.0000003318 0.55813 2.59179
75 3S5W NAP 0.00002642 0.42188 2.59179
76 1PS9 FAD 0.000000008873 0.63872 2.61682
77 1DJN ADP 0.00000002078 0.63211 2.61682
78 1PS9 NAP 0.00007234 0.45655 2.61682
79 4BVA T3 0.001733 0.42382 2.61682
80 4BVA NDP 0.001229 0.42093 2.61682
81 5BW4 SAM 0.0001539 0.40948 2.62172
82 4FWE FAD 0.0000001448 0.59333 2.63819
83 1JQ3 AAT 0.0004453 0.41667 2.7027
84 2Q1W NAD 0.001128 0.40609 2.7027
85 1V8B NAD 0.0007138 0.43666 2.71399
86 5UAV NDP 0.0005543 0.44097 2.79503
87 5UAV TFB 0.0005543 0.44097 2.79503
88 5J7X FAD 0.00000179 0.54201 2.80374
89 5MQ6 NDP 0.0003051 0.4588 2.80374
90 3C6K SPD 0.001273 0.42678 2.80374
91 3C6K MTA 0.001273 0.42678 2.80374
92 4M37 SAH 0.0002454 0.40972 2.80374
93 1QXA GLY GLY GLY 0.03702 0.40943 2.80374
94 3GU3 SAH 0.01253 0.4209 2.8169
95 2JJQ SAH 0.002697 0.44525 2.82353
96 2DT5 NAD 0.0004061 0.43638 2.8436
97 3U4C NDP 0.002301 0.40769 2.84698
98 1TDF NAP 0.0000001866 0.61781 2.8481
99 1TDF FAD 0.00000004722 0.61753 2.8481
100 3SSO SAH 0.0001157 0.48507 2.86396
101 4EUE NAI 0.002245 0.41219 2.87081
102 4W6Z 8ID 0.004881 0.40383 2.88184
103 2D2I NAP 0.0004466 0.44823 2.89474
104 3EVG SAH 0.01384 0.40108 2.90909
105 5THQ NDP 0.002716 0.40634 2.94118
106 1P31 EPU 0.008852 0.40985 2.94737
107 3V1Y NAD 0.00009431 0.46789 2.96736
108 1FWV SGA MAG FUC 0.01806 0.42624 2.98507
109 2AQJ TRP 0.00000004419 0.63221 2.99065
110 2AQJ FAD 0.00000004726 0.63221 2.99065
111 2ZXI FAD 0.0000000117 0.54305 2.99065
112 1UWK NAD 0.0001231 0.47757 2.99065
113 4L8V NAP 0.003299 0.4031 2.99065
114 3CMC NAD 0.005247 0.42496 2.99401
115 3ETG GLU 0.006092 0.41458 2.99401
116 3ETG NDP 0.006117 0.4145 2.99401
117 3ETG GTP 0.004228 0.41438 2.99401
118 1DSS NAD 0.00007893 0.47488 3.003
119 1Q1R FAD 0.000000005726 0.55328 3.01624
120 4CNK FAD 0.0000000004834 0.68325 3.06905
121 2C7G ODP 0.00000009793 0.43675 3.07018
122 2C7G FAD 0.00000007408 0.43673 3.07018
123 3WMX NAD 0.003368 0.40668 3.07263
124 5G3U FDA 0.000001388 0.54638 3.07329
125 5G3U ITW 0.000007225 0.52623 3.07329
126 3BGD SAH 0.004783 0.40903 3.07692
127 2PT9 2MH 0.001191 0.42546 3.11526
128 2PT9 S4M 0.0008651 0.41344 3.11526
129 3CGB FAD 0.000000003073 0.56113 3.125
130 2XWL CTP 0.01658 0.40061 3.13901
131 2IZ1 ATR 0.00002878 0.57997 3.16456
132 3NTD FAD 0.000000008825 0.63333 3.17757
133 5GZ6 NDP 0.0002745 0.46886 3.17757
134 5GZ6 7C3 0.0004906 0.45021 3.17757
135 4E13 NAD 0.00009237 0.43008 3.18021
136 5X62 SAH 0.005467 0.42284 3.20197
137 3DXY SAM 0.0004028 0.49028 3.21101
138 3NJ4 NAD 0.006037 0.44202 3.21839
139 3NJ4 AFX 0.008534 0.4352 3.21839
140 3B20 NAD 0.0004155 0.42471 3.24484
141 1RM4 NDP 0.001233 0.41481 3.2641
142 1J0X NAD 0.0003176 0.45877 3.31325
143 3CGD NAD 0.00000003171 0.65673 3.33333
144 3CGD COA 0.00000003171 0.65673 3.33333
145 3CGD FAD 0.00000003171 0.65673 3.33333
146 1WDK NAD 0.00003085 0.45631 3.33333
147 1E5Q NDP 0.0009354 0.42258 3.33333
148 1K3T BRZ 0.00249 0.41172 3.34262
149 2HNK SAH 0.001248 0.44043 3.34728
150 1KEW NAD 0.001575 0.43722 3.36449
151 1KEW TYD 0.004976 0.41583 3.36449
152 4AP3 FAD 0.0000007486 0.40273 3.36449
153 4AP3 NAP 0.0000007486 0.40273 3.36449
154 5JY6 NAD 0.001657 0.43545 3.37079
155 1F8G NAD 0.0002471 0.46663 3.38542
156 4G74 FAD 0.00000004144 0.53404 3.38645
157 4G74 UQ5 0.0000001112 0.46506 3.38645
158 1A5Z NAD 0.0000556 0.49409 3.44828
159 2AE2 PTO 0.00723 0.40122 3.46154
160 2AE2 NAP 0.00723 0.40122 3.46154
161 1SC6 NAD 0.0008933 0.42765 3.46535
162 2B4R AES 0.000156 0.4468 3.47826
163 2B4R NAD 0.0001983 0.43789 3.47826
164 4D7E FAD 0.000003099 0.52945 3.4965
165 1F8F NAD 0.002732 0.41312 3.50404
166 2I7C AAT 0.000417 0.41411 3.53357
167 1COY FAD 0.00000007145 0.49629 3.5503
168 1COY AND 0.0000004416 0.42036 3.5503
169 1GPE FAD 0.000002448 0.54653 3.5514
170 3QVP FAD 0.000004571 0.43782 3.5514
171 4MOP 2H5 0.0000004129 0.43096 3.5514
172 2Q28 ADP 0.003902 0.42238 3.5514
173 1SAY PYR 0.0005843 0.4375 3.60111
174 5LD5 NAD 0.0004191 0.41714 3.63128
175 1MO9 FAD 0.0000002028 0.62275 3.63289
176 1MO9 KPC 0.0000002203 0.62207 3.63289
177 2VVM FAD 0.000003388 0.534 3.63636
178 2VVL FAD 0.000002963 0.45181 3.63636
179 1GAD NAD 0.0002947 0.43435 3.63636
180 5JWC FAD 0.000000005837 0.56798 3.64683
181 1PL6 NAD 0.0004113 0.46128 3.65169
182 2VDV SAM 0.001134 0.46331 3.65854
183 2NVK NAP 0.000001586 0.63566 3.68852
184 2NVK FAD 0.00000002636 0.50553 3.68852
185 3OFK SAH 0.0005358 0.45238 3.7037
186 1X7D NAD 0.001741 0.4123 3.71429
187 1PJS NAD 0.0003714 0.40045 3.71991
188 1T26 NAI 0.000413 0.45309 3.72671
189 4DCM SAM 0.001664 0.45084 3.73333
190 4RQU NAD 0.0002503 0.44438 3.73333
191 4IV9 FAD 0.000000247 0.48841 3.73832
192 2Z3Y F2N 0.0000004665 0.46525 3.73832
193 4C4A SAH 0.000565 0.4594 3.73832
194 3WE0 FAD 0.000001935 0.44917 3.73832
195 2A92 NAI 0.000489 0.41989 3.73832
196 1F06 2NP 0.004528 0.40283 3.75
197 1F06 NDP 0.004528 0.40283 3.75
198 1NW5 SAM 0.008417 0.40763 3.76176
199 2EG5 SAH 0.01463 0.40992 3.76344
200 1V59 FAD 0.000000008666 0.64587 3.76569
201 3SQP FAD 0.0000005171 0.64362 3.76569
202 1V59 NAD 0.000000001395 0.52768 3.76569
203 3H8V ATP 0.00007981 0.50189 3.76712
204 1N4W FAD 0.0000001168 0.59708 3.76984
205 3QJ4 FAD 0.0000001954 0.50044 3.80117
206 3WLE NAD 0.0003504 0.4488 3.81232
207 1GR0 NAD 0.0005541 0.4384 3.81471
208 3RKR NAP 0.007214 0.43301 3.81679
209 1KPG SAH 0.006207 0.40724 3.83275
210 5A04 NDP 0.004948 0.41984 3.83481
211 5A04 BGC 0.006011 0.41984 3.83481
212 3VPH OXM 0.00009454 0.42948 3.87097
213 3VPH NAD 0.000196 0.42843 3.87097
214 4PLG NAI 0.0005065 0.40005 3.89222
215 1HDG NAD 0.0005202 0.44203 3.91566
216 3UOY NAP 0.0000007876 0.58822 3.92523
217 3UOY FAD 0.0000007876 0.58822 3.92523
218 4Z24 FAD 0.000001552 0.55043 3.92523
219 4J56 FAD 0.00000002889 0.48904 3.92523
220 1NAA 6FA 0.00000005909 0.48441 3.92523
221 1NAA ABL 0.0000001174 0.43811 3.92523
222 2HJR APR 0.0001626 0.47016 3.96341
223 2IVD FAD 0.0000001004 0.52155 3.9749
224 4NBU NAI 0.002042 0.40206 4
225 3G89 SAM 0.0001972 0.49975 4.01606
226 3LST SAH 0.007014 0.42934 4.02299
227 1H82 FAD 0.0000009111 0.5751 4.02542
228 1H82 GZZ 0.000001227 0.5751 4.02542
229 3GDN HBX 0.000005962 0.53683 4.03071
230 3GDN FAD 0.000003773 0.53495 4.03071
231 2WPF WPF 0.0000004919 0.61774 4.0404
232 2WPF FAD 0.0000005552 0.61325 4.0404
233 3G5S FAD 0.000000007082 0.55004 4.06321
234 1ZK7 FAD 0.00000001981 0.49078 4.06852
235 1RSG FAD 0.0000001161 0.59564 4.06977
236 2YYY NAP 0.0002734 0.44292 4.08163
237 2JB2 FAD 0.0000003935 0.48684 4.08998
238 2JB2 PHE 0.0000004315 0.48056 4.08998
239 1YY5 FAD 0.0000001371 0.59579 4.09357
240 2CDC NAP 0.001574 0.4465 4.09836
241 4TXI FAD 0.0000000009563 0.65822 4.11215
242 4MIG G3F 0.0000005514 0.5768 4.11215
243 1REO FAD 0.0000001418 0.5873 4.11523
244 5TS5 FAD 0.00000007365 0.49539 4.13223
245 3U31 NAD 0.003176 0.4196 4.13793
246 4YAG NAI 0.002568 0.42121 4.15225
247 3AB1 FAD 0.00000001678 0.5167 4.16667
248 3L4S 3PG 0.0008275 0.43029 4.16667
249 3L4S NAD 0.0007632 0.43029 4.16667
250 3DAG FEG 0.0007677 0.41555 4.18994
251 1GET NAP 0.00000004928 0.64046 4.22222
252 1GET FAD 0.00000004386 0.64046 4.22222
253 4REP FAD 0.0000001298 0.58882 4.24242
254 2VHW NAI 0.00001737 0.50004 4.24403
255 4OBW SAM 0.0081 0.41159 4.28016
256 1GY8 NAD 0.001243 0.40888 4.28212
257 1LSS NAD 0.0000003829 0.59224 4.28571
258 4M52 FAD 0.00000000344 0.5257 4.29185
259 5UAO FAD 0.0000003243 0.57137 4.29907
260 5JJR SAH 0.01014 0.40718 4.29907
261 3WQQ IB3 0.00223 0.42266 4.30328
262 3GD4 NAD 0.0001093 0.47733 4.30528
263 3GD4 FAD 0.00000003631 0.44092 4.30528
264 2A8X FAD 0.00000001271 0.50617 4.31034
265 3CBG SAH 0.0004079 0.47465 4.31034
266 4J1Q NDP 0.00142 0.41302 4.31034
267 3MB5 SAM 0.001296 0.43266 4.31373
268 4D79 ATP 0.00000663 0.45714 4.34783
269 1J5P NAD 0.002117 0.4118 4.34783
270 2HQM FAD 0.00000002628 0.50371 4.38413
271 5TUK FAD 0.000000002073 0.63055 4.41176
272 2YG3 FAD 0.0000005352 0.47625 4.41501
273 1ZMD NAI 0.0000003857 0.56757 4.43038
274 1ZMD FAD 0.000000003305 0.51872 4.43038
275 4USQ FAD 0.0000009336 0.54645 4.43213
276 1RYI FAD 0.000001706 0.54735 4.45026
277 1RYI GOA 0.003955 0.44341 4.45026
278 3FG2 FAD 0.000000007072 0.57992 4.45545
279 3GGO ENO 0.0004604 0.45009 4.4586
280 4K28 NAD 0.0003174 0.45064 4.46097
281 4BV6 FAD 0.00000001112 0.6348 4.46247
282 1ZGA SAH 0.0134 0.41175 4.48179
283 2YY7 NAD 0.001096 0.42285 4.48718
284 4RDH AMP 0.00000514 0.5686 4.51389
285 4RDI ATP 0.0000146 0.44652 4.51389
286 2RAB NAD 0.00000005011 0.63801 4.53564
287 2RAB FAD 0.00000001599 0.63349 4.53564
288 5HJM MTA 0.007799 0.40909 4.54545
289 3TLJ SAH 0.005001 0.40823 4.55764
290 5U8U FAD 0.00000002698 0.64829 4.5738
291 2DFV NAD 0.0007629 0.42242 4.61095
292 2IID PHE 0.0000001669 0.43518 4.61847
293 2IID FAD 0.0000001669 0.43518 4.61847
294 1YJQ NAP 0.001083 0.40331 4.62046
295 5BUK FAD 0.0000000004779 0.69509 4.66667
296 1KNR FAD 0.000000007206 0.64054 4.6729
297 3LKZ SFG 0.005279 0.41659 4.6729
298 5KVA SAM 0.0003855 0.41261 4.67626
299 3DMH SAM 0.0006198 0.45358 4.72441
300 3DMH GMP 0.0009079 0.42605 4.72441
301 4JZ8 CIT 0.01917 0.42045 4.73186
302 1CF2 NAP 0.0001451 0.44669 4.74777
303 4BG4 ADP 0.01659 0.4006 4.77528
304 3ORF NAD 0.00228 0.40784 4.78088
305 1UP7 NAD 0.0007709 0.4146 4.79616
306 1J49 NAD 0.002276 0.40787 4.8048
307 3LAD FAD 0.000000008338 0.64154 4.83193
308 1P1C SAH 0.0001241 0.47504 4.85981
309 1O0S NAI 0.0003637 0.45562 4.85981
310 5M77 7K2 7K3 0.02308 0.40379 4.85981
311 1LDM NAD 0.0009478 0.41782 4.86322
312 5DM1 SAH 0.001473 0.42661 4.86891
313 5DM1 5D7 0.001588 0.42643 4.86891
314 2E5V FAD 0.000000001855 0.66954 4.87288
315 5TUF FAD 0.000000001342 0.61409 4.88998
316 5TUF TDC 0.000000008377 0.44815 4.88998
317 2CVQ NDP 0.00106 0.42051 4.89297
318 3QDT A2G GAL 0.02919 0.40653 4.8951
319 1FEC FAD 0.0000001818 0.59373 4.89796
320 4KP7 NAP 0.004035 0.41788 4.91803
321 4KP7 1UQ 0.00342 0.41717 4.91803
322 2NPX FAD 0.000000004694 0.5547 4.9217
323 2NPX NAD 0.00000001962 0.44354 4.9217
324 3JV7 NAD 0.001963 0.40598 4.92754
325 2V3A FAD 0.000000006555 0.63844 4.94792
326 2G5C NAD 0.0001501 0.45447 4.98221
327 1I9G SAM 0.0002847 0.41345 5
328 2BGM NAJ 0.00195 0.40502 5.03597
329 2PWY SAH 0.0007123 0.40792 5.03876
330 4M73 SAH 0.001873 0.4202 5.04451
331 5HSA FAS 0.000004751 0.52955 5.04673
332 1QMG APX 0.002014 0.42469 5.04673
333 5TTJ FAD 0.0000006323 0.47848 5.10204
334 2FR1 NDP 0.001539 0.40214 5.14403
335 4MO2 FDA 0.00000464 0.46339 5.16304
336 4MO2 FAD 0.00000559 0.45577 5.16304
337 5AYV KPL 0.0007525 0.43451 5.17799
338 5AYV NAP 0.0008193 0.40822 5.17799
339 3ZNN FAD 0.000004413 0.54768 5.18732
340 3WGT FAD 0.000004037 0.4233 5.18732
341 3WGT QSC 0.000004322 0.41911 5.18732
342 5FJN BE2 0.0000001856 0.59194 5.26316
343 5FJN FAD 0.0000001501 0.59115 5.26316
344 1IM8 SAI 0.001947 0.43208 5.32787
345 3EGI ADP 0.0002663 0.51815 5.33981
346 4XB2 HSE 0.004217 0.4016 5.37313
347 1ELI PYC 0.000005068 0.52412 5.39846
348 5VN0 FAD 0.00000004041 0.52248 5.40541
349 5VN0 NAI 0.000000131 0.42938 5.40541
350 4HA6 FAD 0.0000004059 0.46494 5.42056
351 3B6R ADP 0.009366 0.41557 5.42056
352 3LZW FAD 0.00000003318 0.51979 5.42169
353 3LZW NAP 0.0000001452 0.42131 5.42169
354 5U5G NAP 0.002573 0.40584 5.42373
355 4YRY NAD 0.00000000648 0.66159 5.43478
356 4YRY FAD 0.000000008522 0.64116 5.43478
357 2RGO FAD 0.0000004557 0.56386 5.43657
358 1LVL NAD 0.0000000143 0.65394 5.45852
359 1LVL FAD 0.0000000374 0.49263 5.45852
360 1KYQ NAD 0.00005779 0.51361 5.47445
361 5ITV NAI 0.001141 0.42217 5.4902
362 1HYH NAD 0.0001712 0.44006 5.50162
363 1MV8 NAD 0.0001009 0.46673 5.50459
364 3QWI CUE 0.007642 0.40215 5.55556
365 3QWI NAP 0.004736 0.40087 5.55556
366 1NVT NAP 0.0007208 0.41182 5.57491
367 2VT3 ATP 0.00003714 0.41336 5.5814
368 2RGH FAD 0.000005742 0.52487 5.6042
369 2PZM UDP 0.002574 0.42215 5.60748
370 2PZM NAD 0.002574 0.42215 5.60748
371 4EMI FAD 0.000000006092 0.54652 5.60976
372 4EMI NAD 0.00000002815 0.43762 5.60976
373 1O6Z NAD 0.001569 0.42593 5.61056
374 1ZQ9 SAM 0.0001939 0.48456 5.61404
375 1CDO NAD 0.0006818 0.43404 5.61497
376 1BW9 NAD 0.0002408 0.46711 5.61798
377 1BXG NAD 0.0004178 0.42848 5.61798
378 1C1X NAD 0.0001671 0.4581 5.6338
379 4ZCC FAD 0.0000004496 0.43833 5.65476
380 4ZCC NAI 0.0000004496 0.43833 5.65476
381 2FK8 SAM 0.005504 0.41255 5.66038
382 3RGG AIR 0.03151 0.40058 5.66038
383 2NU8 COA 0.004102 0.4033 5.6701
384 1YQZ FAD 0.00000002931 0.43562 5.70776
385 1I8T FAD 0.000003994 0.5297 5.72207
386 2XYQ SAH 0.002889 0.43177 5.7377
387 1PR9 NAP 0.003338 0.40678 5.7377
388 3D3W NAP 0.003357 0.40668 5.7377
389 4X9M FAD 0.0000001135 0.59281 5.74163
390 3ICS ADP 0.0000003625 0.63969 5.78231
391 3ICR FAD 0.000000005706 0.63887 5.78231
392 3ICT FAD 0.00000001123 0.62728 5.78231
393 3ICS FAD 0.000000006568 0.54403 5.78231
394 3ICT ADP 0.0000002025 0.46937 5.78231
395 1SOW NAD 0.0003455 0.44359 5.79268
396 1QO8 FAD 0.0000000006435 0.6862 5.79439
397 3AXB FAD 0.0000002159 0.50331 5.79439
398 3AXB PRO 0.0000003449 0.47017 5.79439
399 1GTE FAD 0.00000002203 0.4351 5.79439
400 2AF6 BRU 0.01388 0.42971 5.81395
401 1OBB NAD 0.0002915 0.4558 5.83333
402 4C3Y FAD 0.00000003354 0.61561 5.84906
403 4C3Y ANB 0.0000001139 0.60198 5.84906
404 1E3I CXF 0.0003572 0.40556 5.85106
405 3NKS FAD 0.000000555 0.4928 5.87002
406 2P69 PLP 0.02393 0.41761 5.88235
407 1ZH8 NAP 0.002849 0.40114 5.88235
408 1JG3 ADN 0.0002466 0.47986 5.95745
409 4OPC FDA 0.00000001511 0.68408 5.96026
410 1EZ4 NAD 0.0005136 0.42562 5.97484
411 2GMH FAD 0.00000000165 0.54209 5.98131
412 1Z45 NAD 0.001861 0.40681 5.98131
413 4UP4 NDG 0.01825 0.4246 5.98504
414 4UP4 NAG 0.01825 0.4246 5.98504
415 1XHC FAD 0.0000000006757 0.58879 5.99455
416 3BAZ NAP 0.004535 0.40428 6.00601
417 4RPL FAD 0.000003537 0.55769 6.01504
418 4RPL 3UC 0.00000758 0.54641 6.01504
419 3K7M FAD 0.0000004007 0.42669 6.03248
420 2XVE FAD 0.000005478 0.54679 6.03448
421 2XVF FAD 0.000001221 0.47929 6.03448
422 2PV7 NAD 0.0005687 0.43392 6.04027
423 4E5N NAD 0.0009956 0.413 6.06061
424 2EV9 SKM 0.0005463 0.43591 6.08365
425 2EV9 NAP 0.0005463 0.43591 6.08365
426 2EJU SAH 0.003042 0.43077 6.08466
427 2F1K NAP 0.00005766 0.47631 6.09319
428 4JDR FAD 0.00000001874 0.50971 6.11814
429 5I39 FAD 0.0000004421 0.48585 6.12745
430 1JQD SAH 0.001772 0.41202 6.16438
431 2HK9 NAP 0.0003099 0.43292 6.18182
432 2HK9 ATR 0.00005141 0.40141 6.18182
433 3F8D FAD 0.0000003826 0.60447 6.19195
434 3P2E SAH 0.004693 0.41555 6.22222
435 2I3G NAP 0.0008996 0.41424 6.25
436 3LXD FAD 0.000000003069 0.64534 6.26506
437 2X3N FAD 0.0000000003156 0.59466 6.26566
438 3HVJ 705 0.0001277 0.46736 6.33484
439 2B9W FAD 0.0000005694 0.58358 6.36792
440 4USR FAD 0.0000001523 0.57518 6.37119
441 4YSX FAD 0.000000006777 0.6416 6.41026
442 1GUZ NAD 0.0002521 0.44426 6.45161
443 1GV0 NAD 0.0003825 0.43892 6.45161
444 2QGI UDP 0.01523 0.42777 6.45161
445 5M67 ADE 0.0006386 0.45151 6.47182
446 5M67 NAD 0.0007039 0.44978 6.47182
447 5M67 3D1 0.0007057 0.44973 6.47182
448 2Y6Q FAD 0.000000006692 0.58888 6.53266
449 2Y6Q I7T 0.00000001844 0.48665 6.53266
450 1I0Z NAI 0.00141 0.41136 6.54206
451 2O07 MTA 0.001278 0.4203 6.57895
452 2O07 SPD 0.0009246 0.41807 6.57895
453 1R18 SAH 0.007346 0.40413 6.60793
454 2CDU FAD 0.00000001055 0.62637 6.63717
455 2CDU ADP 0.0000007287 0.48073 6.63717
456 1JNR FAD 0.00000007717 0.63718 6.66667
457 4QTU SAM 0.001569 0.43984 6.66667
458 4KRI SAH 0.003836 0.41934 6.69746
459 2Q7V FAD 0.000000003993 0.52891 6.76923
460 1Q9I TEO 0.000000001712 0.68979 6.83012
461 1Q9I FAD 0.000000001712 0.46975 6.83012
462 2AG8 NAP 0.00005843 0.43657 6.84411
463 1C0I FAD 0.02799 0.40718 6.88705
464 1C0I BE2 0.02799 0.40718 6.88705
465 3QFA FAD 0.00000006199 0.49224 6.89655
466 4OOE NDP 0.004799 0.40061 6.91589
467 3A4T SFG 0.001369 0.43511 6.93431
468 1Y8Q ATP 0.00001853 0.50467 6.93642
469 1CER NAD 0.0005122 0.43893 6.94864
470 3ESS 18N 0.02534 0.41163 6.95652
471 1E6E FAD 0.00000001296 0.62286 7.03125
472 5WGR FAD 0.000000006603 0.53373 7.1028
473 5DXA SFG 0.003036 0.41726 7.16332
474 1H5Q NAP 0.001663 0.40896 7.16981
475 3OND ADN 0.0009399 0.44371 7.17213
476 1O94 ADP 0.000000005955 0.64731 7.1875
477 3CTY FAD 0.0000000009251 0.6835 7.21003
478 2JHF NAD 0.008238 0.44022 7.21925
479 4II2 ATP 0.00001031 0.53045 7.22892
480 4YUW 4JU 0.001956 0.45935 7.23684
481 4YUW S4M 0.001909 0.45935 7.23684
482 1ZEM NAD 0.001196 0.41265 7.25191
483 5JE0 AZ8 0.002662 0.40802 7.28745
484 5JE0 SAH 0.002662 0.40802 7.28745
485 4BJZ P3A 0.000000006185 0.42288 7.31132
486 1FL2 FAD 0.0000001131 0.59119 7.41935
487 5J60 FAD 0.000000003405 0.65352 7.5
488 4YMH SAH 0.00125 0.4404 7.5
489 4ONQ SFG 0.007862 0.41218 7.56302
490 1BXK NAD 0.001076 0.42026 7.60563
491 3NYC IAR 0.000000674 0.42986 7.61155
492 3NYC FAD 0.000000674 0.42986 7.61155
493 1V6A TRE 0.0006254 0.50152 7.66355
494 2F5X ASP 0.0433 0.40088 7.69231
495 1X14 NAD 0.00007138 0.5094 7.73067
496 2P41 SAH 0.01197 0.40393 7.86885
497 5EVY FAD 0.000005098 0.53271 7.99087
498 1L1E SAH 0.00431 0.41715 8.01394
499 3KLJ FAD 0.000000008907 0.57743 8.05195
500 4HSU FAD 0.0000001175 0.47651 8.06452
501 4GUS FAD 0.0000001505 0.47377 8.06452
502 4GUT FAD 0.0000001683 0.46343 8.06452
503 2GAG NAD 0.0000000009093 0.67032 8.08081
504 2GAG FAD 0.000006432 0.52953 8.08081
505 2GAG FOA 0.000006432 0.52953 8.08081
506 1NYT NAP 0.00137 0.42516 8.11808
507 3GRU AMP 0.0001388 0.43326 8.13559
508 2CUL FAD 0.0000001747 0.5186 8.18966
509 4AZT SAM 0.006348 0.41637 8.2243
510 1W8D NAP 0.003005 0.4144 8.2243
511 1W73 NAP 0.003388 0.41227 8.2243
512 1EK6 UPG 0.01327 0.40196 8.2243
513 4Y2H 49K 0.005008 0.40658 8.23864
514 4Y2H SAH 0.005019 0.40655 8.23864
515 3ITJ CIT 0.00009755 0.5468 8.28402
516 3ITJ FAD 0.0000003288 0.44755 8.28402
517 4RSL FAD 0.00000375 0.5262 8.31461
518 5KKA 6V0 0.001713 0.41673 8.33333
519 4NEC SAH 0.0154 0.40538 8.33333
520 2GND MAN 0.04538 0.40019 8.33333
521 2Q0L NAP 0.0000512 0.52177 8.36013
522 2Q0L FAD 0.00000002247 0.50968 8.36013
523 4AT0 FAD 0.0000000978 0.60611 8.43137
524 3QV1 NAD 0.0003719 0.42677 8.53659
525 3X0D SAH 0.0002636 0.41031 8.59813
526 4XUC 43G 0.0002772 0.45012 8.7156
527 4XUC SAM 0.0002772 0.45012 8.7156
528 1WP4 NDP 0.0005846 0.43346 8.99654
529 2CVZ NDP 0.000705 0.43346 8.99654
530 2HMT NAI 0.000001064 0.56691 9.02778
531 3AD8 NAD 0.000000001584 0.65437 9.09091
532 3AD8 FAD 0.000008697 0.54299 9.09091
533 3AD8 PYC 0.000008697 0.54299 9.09091
534 5E8J SAH 0.002258 0.44895 9.09091
535 1LDN NAD 0.0001199 0.4598 9.17722
536 5N53 8NB 0.01215 0.4314 9.23077
537 4R6W SAH 0.001225 0.40492 9.30233
538 3NDJ JHZ 0.005634 0.4111 9.375
539 3EGV SAH 0.0007272 0.46311 9.44882
540 2NXE SAM 0.0008869 0.45486 9.44882
541 1G0N NDP 0.005307 0.40455 9.54064
542 1G0N PHH 0.007383 0.40182 9.54064
543 2OOR NAD 0.0004323 0.45634 9.63542
544 1L7E NAI 0.0005472 0.41691 9.63542
545 1F3L SAH 0.003319 0.41879 9.65732
546 1VDC FAD 0.0000005252 0.4463 9.90991
547 3H9E NAD 0.00007254 0.47239 10.1156
548 1QAN SAH 0.001814 0.42992 10.2459
549 1L5Y BEF 0.009608 0.40701 10.3226
550 1UAY ADN 0.000625 0.47572 10.3306
551 4UP3 FAD 0.00000006234 0.60318 10.5096
552 4UP3 NDP 0.00005571 0.44067 10.5096
553 2DTX BMA 0.002636 0.41768 10.6061
554 1R37 NAD 0.003886 0.40542 10.6628
555 1MAI I3P 0.01494 0.41988 10.687
556 4J4H 1J1 0.001047 0.44085 10.8108
557 4J4H NAI 0.001047 0.44085 10.8108
558 4JK3 NAD 0.0006888 0.42077 10.8108
559 1BZL FAD 0.000001262 0.59819 10.9053
560 2VYN NAD 0.0001108 0.45786 11.0778
561 2YVF NAD 0.0000002589 0.60352 11.2745
562 2YVF FAD 0.0000002437 0.60352 11.2745
563 2YVJ NAI 0.000002011 0.57379 11.2745
564 2YVJ FAD 0.00000002332 0.53429 11.2745
565 1C3X 8IG 0.01865 0.41942 11.2782
566 1EDO NAP 0.002487 0.41047 11.4754
567 5JCA NDP 0.0000000129 0.6583 11.9718
568 5JCA FAD 0.000000003864 0.65495 11.9718
569 9LDT NAD 0.0005124 0.43554 12.0482
570 9LDB NAD 0.0004673 0.42431 12.0482
571 1DXY NAD 0.000802 0.41753 12.6126
572 4JJF FE9 0.0003341 0.44287 12.7907
573 4JJF N2I 0.0004772 0.42906 12.7907
574 3CIF G3H 0.0002797 0.45132 13.3705
575 3CIF NAD 0.0001723 0.45055 13.3705
576 4NTD FAD 0.00000001974 0.52868 13.5294
577 5ODQ FAD 0.00000002792 0.50248 13.587
578 1D4D FAD 0.000000002743 0.52171 13.8112
579 5CAE COA 0.003934 0.40961 14.1772
580 1XDS SAM 0.0199 0.40345 15.2406
581 1QZZ SAM 0.02114 0.40218 15.508
582 3RNM FAD 0.000000004523 0.51559 15.5172
583 3B1J NAD 0.0007187 0.42237 16
584 2V3B FAD 0.00000000847 0.54881 16.3636
585 1SB8 NAD 0.002651 0.42533 16.4773
586 1SB8 UD2 0.003205 0.42533 16.4773
587 1P77 ATR 0.00004588 0.55849 16.5441
588 3GMB FAD 0.0000000005576 0.60841 16.8675
589 4MP8 NAD 0.0006278 0.44008 17.1091
590 3E1T FAD 0.00000000007535 0.56662 17.3828
591 1NVM NAD 0.00009896 0.44839 17.6282
592 4J36 1HR 0.000000001272 0.67614 17.8313
593 4J36 FAD 0.0000000006448 0.66724 17.8313
594 1YKJ PHB 0.00000001329 0.65896 18.5279
595 1YKJ FAD 0.00000001329 0.65896 18.5279
596 2F5Z FAD 0.000000003707 0.65743 20.3125
597 3OZ2 FAD 0.000000000116 0.58073 20.403
598 2RGJ FAD 0.00000000009346 0.64513 22.6368
599 1NV8 MEQ 0.001377 0.41219 24.2958
600 1NV8 SAM 0.001789 0.41186 24.2958
601 4GQB 0XU 0.001365 0.42841 27.2727
602 4M38 SAH 0.0004172 0.46101 28.5714
603 2DKH FAD 0.00000000003074 0.7185 30.6542
604 2DKH 3HB 0.0000000003367 0.69155 30.6542
605 3GDH SAH 0.003519 0.41159 30.7054
606 2QA1 FAD 0.000000000005344 0.66703 31.028
607 1PN0 IPH 0.0000000001382 0.72405 32.3364
608 1PN0 FAD 0.0000000001253 0.72405 32.3364
609 5L95 AMP 0.000137 0.42389 32.5
610 5EOW FAD 0.000000001309 0.6576 32.5926
611 5MZI FAD 0.000000004868 0.67353 35.141
612 5MZI FYK 0.000000005226 0.67353 35.141
613 5BVA FAD 0.0000000002523 0.54623 36.1858
614 4K5S FAD 0.0000000005476 0.61933 41.791
615 4K5S PM0 0.000000002926 0.49863 41.791
Pocket No.: 2; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 3ihg.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AOA PPI 0.01111 0.41085 2.44755
2 1G8S MET 0.02401 0.40403 3.91304
3 1DZT TPE 0.0125 0.41743 4.37158
4 1FHX 4IP 0.01946 0.40429 5.42636
5 3FU7 D2M 0.003129 0.44913 6.16822
6 2F9W PAU 0.01712 0.40277 7.01107
7 5EVY SAL 0.008598 0.42349 7.99087
8 1MFA GLA MMA ABE 0.01729 0.40865 8.66142
9 4J36 1HR 0.0332 0.40045 17.8313
10 5MZI FAD 0.04131 0.40563 35.141
11 5MZI FYK 0.04246 0.40563 35.141
Pocket No.: 3; Query (leader) PDB : 3IHG; Ligand: FAD; Similar sites found: 26
This union binding pocket(no: 3) in the query (biounit: 3ihg.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1P9B HDA 0.01502 0.42984 1.13122
2 1U8X NAD 0.005119 0.40214 1.27119
3 4MDH NAD 0.002571 0.41128 1.79641
4 5MDH NAD 0.002566 0.41131 1.8018
5 1T9D P22 0.02541 0.41569 2.24299
6 3UDG TMP 0.0204 0.40614 2.32558
7 2P4Q FLC 0.02775 0.42079 2.41449
8 2X1L ADN 0.02257 0.41035 2.48092
9 2OUA AES 0.01713 0.42048 2.65957
10 3KB6 NAD 0.004849 0.40049 2.69461
11 1UWK URO 0.00009597 0.40112 2.99065
12 3PGU OLA 0.01552 0.41867 3.0445
13 4DPL NAP 0.00261 0.40576 3.34262
14 1PL6 572 0.002003 0.40354 3.65169
15 4ISS TAR 0.0294 0.4079 4.48598
16 4XB2 NDP 0.0004699 0.40657 5.37313
17 1H2B NAJ 0.001749 0.40178 5.57103
18 3WBF NAP 0.003066 0.40566 5.57377
19 1GVF PGH 0.02475 0.41631 5.59441
20 4YMZ 13P 0.01705 0.42065 6.3745
21 2X61 CH 0.02724 0.40258 8.13953
22 4KXQ APR 0.007715 0.40579 8.54093
23 1NM5 NAD 0.00292 0.42197 9.63542
24 2NSJ C2R 0.01001 0.42426 12.426
25 1JAY NAP 0.008083 0.40493 12.7358
26 1APZ ASP 0.04927 0.40012 20.3704
Pocket No.: 4; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 3ihg.bio3) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WXL ADP 0.01583 0.41372 1.9305
Pocket No.: 5; Query (leader) PDB : 3IHG; Ligand: VAK; Similar sites found: 4
This union binding pocket(no: 5) in the query (biounit: 3ihg.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RE8 BD2 0.01894 0.41552 2.57143
2 5LGA 6VH 0.02176 0.40401 5.33333
3 1YKJ FAD 0.04416 0.40877 18.5279
4 1YKJ PHB 0.04416 0.40877 18.5279
Pocket No.: 6; Query (leader) PDB : 3IHG; Ligand: FAD; Similar sites found: 60
This union binding pocket(no: 6) in the query (biounit: 3ihg.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZFI ADP 0.01539 0.41764 1.91257
2 5JAQ NAI 0.005744 0.40184 1.97044
3 4DSG FAD 0.000001228 0.40286 2.06612
4 4DSG UDP 0.000001228 0.40286 2.06612
5 4XQC NAD 0.0001286 0.40208 2.10526
6 4XQC 13D 0.0001025 0.40095 2.10526
7 1QKQ MAN 0.043 0.41853 2.11268
8 1E7S NAP 0.003306 0.40316 2.18069
9 3G2Y GF4 0.0262 0.40845 2.6616
10 3A1I UNU 0.02031 0.41151 2.68714
11 1C3V NDP 0.001894 0.40522 2.85714
12 4U8P FDA 0.0000002777 0.40169 2.92398
13 3SJ7 NDP 0.002597 0.40708 3.1746
14 4D04 NAP 0.0000005731 0.40178 3.36449
15 4D04 FAD 0.0000005731 0.40178 3.36449
16 2V6O FAD 0.0000000442 0.40491 3.52349
17 4CP8 MLI 0.04938 0.4 3.5514
18 1O5I NAD 0.006304 0.4145 3.61446
19 3MJE NDP 0.002582 0.40458 3.62903
20 1FS5 TLA 0.01976 0.40149 3.7594
21 4GKV NAD 0.0006841 0.40859 3.86905
22 3WD6 GSH 0.04382 0.40126 3.90625
23 1KCC GTR 0.02875 0.40759 4.1791
24 1G60 SAM 0.01287 0.40071 4.23077
25 3GGO NAI 0.0001224 0.40334 4.4586
26 4ZRN NAD 0.001011 0.40375 4.48718
27 2WSB NAD 0.004002 0.40902 4.72441
28 3NUG NAD 0.003381 0.4015 4.8583
29 3GF4 FAD 0.0000031 0.40886 4.87179
30 3GF4 UPG 0.00000292 0.40195 4.87179
31 4ZGS NAD 0.0009855 0.40313 4.92228
32 1LLU NAD 0.001161 0.40042 4.97076
33 1KOL NAD 0.0002478 0.41392 5.02513
34 3ZNN 4WL 0.000001268 0.41221 5.18732
35 1ZBQ NAD 0.001756 0.40299 5.19878
36 2NAD NAD 0.003646 0.40518 5.34351
37 3OID NDP 0.00252 0.40892 5.42636
38 3HDY FDA 0.000001331 0.40229 5.54156
39 3HDY FAD 0.000001209 0.40031 5.54156
40 3WBF API 0.001364 0.40151 5.57377
41 1C1X HFA 0.01175 0.41956 5.6338
42 1GEE NAD 0.003095 0.40162 5.74713
43 4O0L NDP 0.002227 0.40314 5.81818
44 1EBF NAD 0.0008239 0.40822 6.14525
45 2JBH 5GP 0.02958 0.40695 6.22222
46 1YXM ADE 0.0169 0.4066 6.27063
47 4XDY NAI 0.001976 0.41723 6.50888
48 5BR7 FAD 0.0000008661 0.40561 6.61578
49 5BR7 FLC 0.0000009749 0.40359 6.61578
50 1G55 SAH 0.01306 0.40044 6.99708
51 5MGZ SAH 0.01256 0.40118 7.62712
52 1EK6 NAI 0.01073 0.40218 8.2243
53 1P0F NAP 0.001453 0.40469 8.57909
54 1W62 PYC 0.03723 0.4056 8.9372
55 1U7T NAD 0.003578 0.40434 9.96169
56 1E3W NAD 0.001587 0.41255 10.3448
57 1JA9 NDP 0.003983 0.40008 10.9489
58 2DC1 NAD 0.001089 0.41212 13.9831
59 4D42 NAP 0.009357 0.40231 19.1489
60 4D42 W0I 0.009357 0.40231 19.1489
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