Receptor
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:301;
C:301;
D:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
5R6 B:302;
C:302;
D:302;
A:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
699.698 C35 H41 N O14 C[C@H...
FE C:300;
A:300;
D:300;
B:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EQU 2.2 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE EPIMERASE SNON IN COMPLEX WITH FE3+ KETOGLUTARATE AND NOGALAMYCIN RO STREPTOMYCES NOGALATER NONE-HEME IRON SUBSTRATE COMPLEX NOGALAMYCIN BIOSYNTHESISISOMERASE
Ref.: DIVERGENT NON-HEME IRON ENZYMES IN THE NOGALAMYCIN BIOSYNTHETIC PATHWAY. PROC.NATL.ACAD.SCI.USA V. 113 5251 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5EQU - 5R6 C35 H41 N O14 C[C@H]1[C@....
2 5EP9 - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Ligand no: 2; Ligand: 5R6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5R6 1 1
2 3VL 0.432432 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found: 150
This union binding pocket(no: 1) in the query (biounit: 5equ.bio4) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IB8 AMP 0.003525 0.43924 1.63934
2 2PFC PLM 0.00572 0.42702 1.63934
3 2W8Q SIN 0.02108 0.41007 1.63934
4 1JA9 PYQ 0.03125 0.413 1.82482
5 1LDM NAD 0.02794 0.44204 1.96721
6 1Z42 HBA 0.003891 0.44035 1.96721
7 2HGS ADP 0.006309 0.43895 1.96721
8 2HGS GSH 0.005883 0.42877 1.96721
9 2HEK GDP 0.006642 0.42155 1.96721
10 1Z44 NPO 0.01119 0.4165 1.96721
11 4IOK ADP 0.02518 0.4152 1.96721
12 1OTH PAO 0.03378 0.41473 1.96721
13 2Y0I AKG 0.01028 0.4046 1.96721
14 4IOK XPO 0.03452 0.40423 1.96721
15 1TUF AZ1 0.04348 0.40063 1.96721
16 3PJU C2E 0.007699 0.44087 2.00803
17 2C4I BTN 0.009843 0.42035 2.21402
18 2QS8 MET 0.01286 0.42978 2.29508
19 3CXO 1N5 0.0176 0.42803 2.29508
20 2WQP WQP 0.02951 0.41175 2.29508
21 4DL8 UMP AF3 PO4 0.02345 0.40782 2.41379
22 3TA2 AKG 0.03791 0.40874 2.54237
23 4IVG ANP 0.01432 0.44967 2.62295
24 3K5X P8D 0.002435 0.44176 2.62295
25 1D3V ABH 0.0196 0.41929 2.62295
26 1GEX PLP HSA 0.02362 0.41525 2.62295
27 4M2K PLP 0.008613 0.41375 2.62295
28 3GE7 AFQ 0.03797 0.41319 2.62295
29 1QW9 KHP 0.0297 0.41028 2.62295
30 4ARF IP8 GLY PRO ALA 0.01992 0.40578 2.62295
31 1E2S CSN 0.01929 0.40441 2.62295
32 1M5B BN1 0.03957 0.43009 2.6616
33 1OAA OAA 0.01995 0.4372 2.7027
34 2EWM NAD 0.03676 0.41174 2.81124
35 1RYI GOA 0.02537 0.40713 2.87958
36 2YIP YIO 0.01473 0.41796 2.89855
37 2WE5 ADP 0.0067 0.42611 2.95082
38 2AEB ABH 0.03336 0.41662 2.95082
39 4G1V FAD 0.04501 0.40374 2.95082
40 4AIG FLX 0.01239 0.40896 2.98507
41 1OIK AKG 0.0000001237 0.62111 2.99003
42 1OIK C26 0.0000005601 0.62111 2.99003
43 4G10 GSH 0.01757 0.40837 3.01887
44 3H22 B53 0.01109 0.41119 3.0303
45 3MCT SAH 0.02589 0.40736 3.0303
46 1JUV NDP 0.03486 0.40811 3.10881
47 3UER TUR 0.002736 0.44199 3.27869
48 3UER BTU 0.002736 0.44199 3.27869
49 3K37 BCZ 0.04197 0.43861 3.27869
50 1WVG APR 0.0297 0.41028 3.27869
51 4DXJ 0M9 0.01236 0.409 3.27869
52 4DXJ IPE 0.01127 0.40836 3.27869
53 2V7T SAH 0.04512 0.44047 3.34448
54 2IUW AKG 0.004035 0.42892 3.36134
55 2YBQ UP2 0.04842 0.41071 3.42466
56 2YBQ SAH 0.02694 0.40489 3.42466
57 4O1M NAD 0.01078 0.43757 3.60656
58 4KCF FMN 0.007238 0.42224 3.60656
59 1TDF FAD 0.04813 0.41927 3.60656
60 3RFV 15L 0.02802 0.41287 3.60656
61 4KCF AKM 0.02645 0.40997 3.60656
62 2XDQ MGX 0.008442 0.40536 3.60656
63 1XHL NDP 0.02971 0.41759 3.7037
64 2QDT I38 0.01639 0.40981 3.71747
65 2GDZ NAD 0.04139 0.40797 3.74532
66 4F2Q QUS 0.01488 0.40975 3.87597
67 2HVW DDN 0.00294 0.44294 3.93443
68 4GQB 0XU 0.03143 0.43285 3.93443
69 1R37 NAD 0.03423 0.41656 3.93443
70 1VJO PLP 0.01579 0.41059 3.93443
71 1R37 ETX 0.007188 0.40844 3.93443
72 3OZG SSI 0.01494 0.41173 4
73 1UAY ADN 0.01952 0.40417 4.13223
74 1V2G OCA 0.01576 0.40639 4.21053
75 1VDC FAD 0.009862 0.45667 4.2623
76 2YVF NAD 0.03134 0.43811 4.2623
77 2ZJ3 G6P 0.01788 0.41355 4.2623
78 3RO7 TDR 0.0296 0.41296 4.2623
79 3WO0 ADP 0.04939 0.41025 4.2623
80 3WO0 ALA 0.04939 0.41025 4.2623
81 1VJT NAD 0.0229 0.40832 4.2623
82 4G09 0VD 0.0184 0.40742 4.2623
83 4AQL TXC 0.02197 0.40565 4.2623
84 3NNF AKG 0.001407 0.40463 4.2623
85 3DDN HPV 0.01032 0.40453 4.2623
86 2CSN CKI 0.01418 0.42627 4.3771
87 2OYS FMN 0.01176 0.42409 4.54545
88 1WUR 8DG 0.02706 0.40799 4.54545
89 1Z45 GAL 0.0005951 0.46392 4.59016
90 5YAS FAC 0.006797 0.42108 4.59016
91 4USQ FAD 0.03269 0.41759 4.59016
92 2PUL ACP 0.02515 0.40093 4.59016
93 5FIT AP2 0.01089 0.41393 4.7619
94 2HJ3 FAD 0.02566 0.40755 4.8
95 2R40 EPH 0.01412 0.43228 4.88722
96 1EP2 ORO 0.01284 0.43843 4.91803
97 1FDJ 2FP 0.01934 0.40221 4.91803
98 2WCV FUC 0.01223 0.40672 5
99 4KQI NIO 0.04156 0.40901 5.2459
100 4KQI RBZ 0.04156 0.40901 5.2459
101 1NHK CMP 0.01213 0.43372 5.55556
102 4GYW UDP 0.006548 0.45098 5.57377
103 1KBJ FMN 0.02486 0.41415 5.57377
104 1GSA ADP 0.02288 0.41157 5.57377
105 3T2W BTN 0.01731 0.40219 5.7377
106 2HGZ PBF 0.0008781 0.48427 5.90164
107 1ECC PCP 0.01423 0.42325 5.90164
108 2IXB A2G 0.04655 0.41346 5.90164
109 4UBP HAE 0.02529 0.40705 5.94059
110 3UIE ADX 0.02279 0.40098 6
111 3U4C NDP 0.0397 0.40772 6.04982
112 2YC5 6BC 0.009809 0.44551 6.14035
113 4Q3R XA2 0.01454 0.42574 6.22951
114 1RBO CAP 0.03194 0.45931 6.50407
115 2PTZ PAH 0.00671 0.42825 6.55738
116 1DSS NAD 0.03609 0.40604 6.55738
117 1FP1 SAH 0.01968 0.40603 6.55738
118 4PLG NAI 0.04208 0.41484 6.88525
119 4PLG OXM 0.04208 0.41484 6.88525
120 1PL6 NAD 0.02745 0.40768 6.88525
121 2A0W DIH 0.04602 0.40939 6.92042
122 3PFG SAM 0.04039 0.41848 7.22433
123 3PFG TLO 0.04039 0.41848 7.22433
124 2GJ3 FAD 0.03778 0.41057 7.5
125 3L24 GOA 0.005561 0.41366 7.54098
126 2DKH FAD 0.03841 0.41293 7.54098
127 1B66 BIO 0.02961 0.40606 7.85714
128 1P9P SAH 0.02961 0.40605 8.04598
129 4QVH COA 0.04076 0.40531 8.19672
130 2D0V PQQ 0.00297 0.45121 8.33333
131 1DLJ UGA 0.03208 0.43095 8.52459
132 4WX0 HXD 0.0145 0.41235 8.74525
133 4CCN OGA 0.00003177 0.51358 8.85246
134 3PNL ADP 0.002464 0.45884 9.18033
135 3R35 4CO 0.04791 0.40583 9.27152
136 4C0X FMN 0.008111 0.43975 9.35961
137 1B55 4IP 0.008521 0.42118 9.46746
138 1YOE RIB 0.04861 0.40323 9.62733
139 1IYE PGU 0.03151 0.41516 10.1639
140 3EM1 TYD 0.02929 0.4085 10.274
141 2ALG HP6 0.013 0.42198 11.9565
142 2ALG DAO 0.013 0.42198 11.9565
143 1QJC PNS 0.03589 0.43008 12.0253
144 1P9B GDP 0.01917 0.4085 12.1311
145 1H2K OGA 0.01094 0.40027 12.1951
146 3FED BIX 0.02573 0.40235 13.4426
147 1BGQ RDC 0.01319 0.42923 13.7778
148 1TIW TFB 0.04965 0.41198 14.0984
149 1TIW FAD 0.04965 0.41198 14.0984
150 1R27 MGD 0.01157 0.4429 17.377
Pocket No.: 2; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 5equ.bio4) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JN2 SFP 0.00137 0.51988 1.68776
2 1Z44 NPO 0.02853 0.41926 1.96721
3 1Q0H NDP 0.01148 0.41052 2.62295
4 9LDT OXM 0.02622 0.41334 2.95082
5 1OIK AKG 0.000003712 0.43228 2.99003
6 2C31 TZD 0.0279 0.40816 3.27869
7 1DXY COI 0.02422 0.40805 3.27869
8 2V7T SAH 0.04194 0.40668 3.34448
9 3NNF AKG 0.01114 0.40562 4.2623
10 2YVF NAD 0.03126 0.40096 4.2623
11 2WGC SIA GAL BGC 0.0485 0.40654 4.67836
12 3OND ADN 0.01065 0.41184 5.90164
13 3OND NAD 0.01065 0.41184 5.90164
14 3S9K CIT 0.01653 0.44368 5.9322
15 4AZT LY2 0.04394 0.40157 6.22951
16 3L24 GOA 0.0187 0.41366 7.54098
17 2V5E SCR 0.03785 0.40498 8.91089
Pocket No.: 3; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found: 100
This union binding pocket(no: 3) in the query (biounit: 5equ.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YFZ IMP 0.01243 0.40087 1.46341
2 1UXG NAD 0.01184 0.44443 1.63934
3 1UXG FUM 0.01184 0.44443 1.63934
4 1XVV CCQ 0.04087 0.41733 1.63934
5 3ZS7 ATP 0.02272 0.41172 1.66667
6 2D37 NAD 0.01115 0.43423 1.70455
7 1E7S NAP 0.01074 0.4401 1.96721
8 2QA1 FAD 0.02204 0.42745 1.96721
9 2PT9 2MH 0.03145 0.41846 1.96721
10 2XUM OGA 0.008301 0.40564 1.96721
11 2PT9 S4M 0.04257 0.40243 1.96721
12 3GEG NAD 0.03211 0.41118 2.02429
13 3TO7 COA 0.04124 0.41622 2.17391
14 2QIA U20 0.01906 0.44488 2.29008
15 1TB4 PEJ 0.01104 0.43706 2.29508
16 1HEX NAD 0.02037 0.42113 2.29508
17 1HDR NAD 0.0254 0.43564 2.45902
18 1H9G COA MYR 0.03339 0.40905 2.46914
19 3N5O GSH 0.01715 0.41267 2.55319
20 1YBH P22 0.006241 0.4228 2.62295
21 5LUN OGA 0.01142 0.41607 2.62295
22 3ZRR PXG 0.0171 0.41449 2.62295
23 3VKX T3 0.01773 0.41457 2.68199
24 2PYU IMP 0.006136 0.41475 2.73973
25 1NN5 2DT 0.02573 0.41849 2.7907
26 1NN5 ANP 0.02573 0.41849 2.7907
27 9LDT OXM 0.003731 0.43053 2.95082
28 1Q3Q ANP 0.03935 0.42892 2.95082
29 3NKS FAD 0.03926 0.41641 2.95082
30 9LDB NAD 0.03957 0.4101 2.95082
31 3QQA TCH 0.02929 0.40628 2.95082
32 2IMP LAC 0.02895 0.40336 2.95082
33 2G36 TRP 0.01276 0.40034 2.95082
34 4GJY OGA 0.01658 0.41158 2.97872
35 1R89 CTP 0.02447 0.4015 3.20366
36 2YGN PCF 0.01114 0.43557 3.20513
37 1IM8 SAI 0.01956 0.41332 3.27869
38 1DXY COI 0.007143 0.40868 3.27869
39 1V1A ADP 0.04834 0.40336 3.27869
40 3AVR OGA 0.02471 0.40124 3.27869
41 4NVP 7CH 0.04083 0.4136 3.34928
42 4INB 1F6 0.01989 0.4113 3.42466
43 3VPD ANP 0.01315 0.42174 3.55872
44 4JCA CIT 0.006494 0.41897 3.59281
45 1OLS TDP 0.02468 0.43316 3.60656
46 3UH0 TSB 0.02772 0.40896 3.60656
47 2B4Q NAP 0.03226 0.41349 3.62319
48 2AZ3 CDP 0.00269 0.43408 3.65854
49 1M1B SPV 0.01059 0.40401 3.72881
50 1IUP ALQ 0.04789 0.40472 3.90071
51 3FXU TSU 0.02942 0.40911 3.93443
52 3TXO 07U 0.02154 0.40214 3.93443
53 3D3W NAP 0.02602 0.41941 4.09836
54 1KHT AMP 0.00623 0.42023 4.16667
55 4A3R CIT 0.02682 0.42306 4.2623
56 3F3E LEU 0.04354 0.41406 4.2623
57 3BW2 FMN 0.03291 0.41305 4.2623
58 2X61 CH 0.03331 0.422 4.26357
59 1MVN PCO 0.03082 0.43567 4.30622
60 1MVN FMN 0.04093 0.4164 4.30622
61 1FS5 TLA 0.02661 0.41466 4.51128
62 3S2Y FMN 0.008872 0.42249 4.52261
63 3SCH TB6 0.002035 0.40097 4.54545
64 3LIH RAF 0.02886 0.40172 4.59016
65 2R40 20E 0.03079 0.40813 4.88722
66 1RYD NDP 0.03732 0.41756 4.91803
67 2B82 ADN 0.01989 0.41296 5.21327
68 1FIQ FAD 0.01774 0.43124 5.2459
69 1FIQ SAL 0.02353 0.42277 5.2459
70 4CMF PXG 0.01812 0.44422 5.2795
71 1QRD FAD 0.03238 0.40561 5.49451
72 1D6H COA 0.01497 0.44375 5.57377
73 1Y8O ADP 0.006676 0.42144 5.57377
74 1B9I PXG 0.03838 0.40194 5.57377
75 3ZLM ANP 0.02451 0.40516 5.85106
76 2HXT EHM 0.01315 0.41228 5.90164
77 3S9K CIT 0.01628 0.41272 5.9322
78 4BAS GNP 0.007948 0.43236 6.03015
79 2VBQ BSJ 0.04899 0.40848 6.06061
80 3LZW FAD 0.02018 0.43242 6.22951
81 1UWZ THU 0.01481 0.41191 6.22951
82 2HMT NAI 0.03232 0.42929 6.25
83 2DTX BMA 0.01896 0.43478 6.43939
84 4J25 OGA 0.01024 0.42141 6.55022
85 3ZY6 GFB 0.01281 0.42229 6.55738
86 1JIL 485 0.0297 0.40282 6.88525
87 1KWK GAL 0.02842 0.40205 6.88525
88 2F01 BTQ 0.01129 0.46415 7.08661
89 2F01 BTN 0.01202 0.46266 7.08661
90 3RKR NAP 0.01188 0.41216 7.63359
91 2XK9 XK9 0.02454 0.42401 7.76398
92 1UKW FAD 0.0211 0.43045 8.52459
93 4QXB OGA 0.02302 0.40057 8.82353
94 4I71 AGV 0.0134 0.41783 9.18033
95 4RJK PYR 0.007477 0.40039 9.28196
96 3CBG SAH 0.01487 0.41379 9.48276
97 3HY3 10F 0.03844 0.40191 9.85222
98 3NCQ ATP 0.02048 0.41234 10.9244
99 1EZV UQ6 0.03339 0.40347 20
100 4BMO FMN 0.02195 0.41684 24.3697
Pocket No.: 4; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found: 14
This union binding pocket(no: 4) in the query (biounit: 5equ.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LUN OGA 0.03146 0.41693 2.62295
2 1RYI GOA 0.01906 0.426 2.87958
3 3MAG 3MA 0.01138 0.43221 2.95082
4 4GJY OGA 0.04323 0.41161 2.97872
5 1BTN I3P 0.001455 0.49491 3.77358
6 2VKL MLT 0.01607 0.42442 4.44444
7 1ZZ7 S0H 0.005235 0.40877 4.54545
8 3SCH TB6 0.01002 0.40765 4.54545
9 1Y9Q MED 0.008398 0.41103 6.25
10 4J25 OGA 0.0287 0.42141 6.55022
11 4W6Z ETF 0.02534 0.40078 6.55738
12 4RJK PYR 0.02185 0.40386 9.28196
13 3PUR 2HG 0.006825 0.45598 11.4754
14 4NAO AKG 0.01844 0.40142 11.4754
Pocket No.: 5; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found: 45
This union binding pocket(no: 5) in the query (biounit: 5equ.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V35 NAI 0.00954 0.45219 None
2 1C4U IH1 0.02435 0.40618 1.5444
3 1VR0 3SL 0.01321 0.40517 1.61943
4 1SOW OXL 0.003363 0.40403 1.63934
5 1C0I BE2 0.04642 0.41935 1.96721
6 1C0I FAD 0.04642 0.41935 1.96721
7 8CAT NDP 0.01704 0.41624 1.96721
8 4LXH C1E 0.008947 0.42434 2.16606
9 3CXO 3LR 0.02945 0.41431 2.29508
10 2TPL HPP 0.02754 0.41192 2.29508
11 1J5P NAD 0.04243 0.40504 2.37154
12 1YBH FAD 0.0411 0.4172 2.62295
13 1LVL NAD 0.02475 0.40832 2.62295
14 3MAG 3MA 0.01029 0.40936 2.95082
15 1NZY BCA 0.04555 0.40348 2.97398
16 4BT5 23B 0.005117 0.42417 3.50195
17 3ANK NG6 GCD 0.01291 0.40812 3.60656
18 3RFV NAI 0.04568 0.40342 3.60656
19 1C3V NDP 0.0468 0.40635 3.67347
20 1BTN I3P 0.01907 0.40538 3.77358
21 4UOH ADP 0.01143 0.40808 3.97351
22 2NX1 RP5 0.03661 0.40829 4.11985
23 2NX1 PEP 0.03961 0.40656 4.11985
24 1L1Q 9DA 0.006841 0.43374 4.30108
25 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02361 0.40224 4.42177
26 4NES UD1 0.004845 0.43906 4.54545
27 1QF5 GDP 0.02791 0.4327 4.59016
28 1QF5 RPL 0.02791 0.4327 4.59016
29 1I2B UPG 0.02853 0.43649 5.57377
30 1I2B NAD 0.02853 0.43649 5.57377
31 1I2B USQ 0.02853 0.43649 5.57377
32 3WBF API 0.01275 0.43746 5.90164
33 2UZ2 BTN 0.01766 0.40828 6.15385
34 2GSD NAD 0.04029 0.4139 6.22951
35 3CL7 HYN 0.03607 0.4047 6.49351
36 2J8Z NAP 0.04263 0.40615 6.55738
37 3AHC TPP 0.0459 0.40567 6.88525
38 4LTN FMN 0.01834 0.43913 7.1066
39 4LTN NAI 0.02114 0.43913 7.1066
40 2H6B 3C4 0.01345 0.42742 7.6
41 4AMV F6R 0.02166 0.40404 8.85246
42 4C0X AQN 0.009311 0.44203 9.35961
43 1YGC 905 0.01934 0.41189 11.1111
44 1XNK XS2 0.01823 0.40761 13.2653
45 1YAG ATP 0.03788 0.40223 20
Pocket No.: 6; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 5equ.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SQG COM 0.04827 0.40122 2.62295
2 3TKA CTN 0.003163 0.46367 2.95082
3 2ZWS PLM 0.01483 0.43678 3.27869
4 1I0Z OXM 0.03772 0.40026 3.27869
5 3QDY CBS 0.01603 0.40616 4.8951
6 1YOA FMN 0.03415 0.41682 5.03145
7 1NU4 MLA 0.01801 0.43215 15.4639
Pocket No.: 7; Query (leader) PDB : 5EQU; Ligand: AKG; Similar sites found: 61
This union binding pocket(no: 7) in the query (biounit: 5equ.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O0D 163 0.01717 0.41079 1.5444
2 3P3N AKG 0.000005858 0.49363 1.96721
3 4B7E OGA 0.000007134 0.47316 1.96721
4 2WA4 069 0.000003114 0.43533 1.96721
5 4USS GSH 0.00987 0.40831 1.96721
6 2J0W ADP 0.01955 0.40809 2.00445
7 1U7Z PMT 0.02262 0.42475 2.21239
8 3CKJ CIT 0.006233 0.44543 2.29508
9 2YPO PHE 0.02277 0.42118 2.29508
10 2P1M IHP 0.03352 0.40765 2.29508
11 4EKV BTN 0.03232 0.41679 2.51572
12 4OYA 1VE 0.02184 0.46178 2.62295
13 1Q0H NDP 0.02781 0.43278 2.62295
14 1LVL FAD 0.02545 0.43163 2.62295
15 1Q0H FOM 0.03106 0.42867 2.62295
16 2OI2 DP6 0.01364 0.40934 2.73973
17 4OE4 NAD 0.01714 0.42802 2.95082
18 3JQM GTP 0.01419 0.40375 3.18471
19 2H6T IVA VAL VAL STA ALA STA 0.003418 0.44428 3.27869
20 2C31 ADP 0.04839 0.43215 3.27869
21 2C31 TZD 0.04942 0.43215 3.27869
22 1WVG CXY 0.02329 0.41119 3.27869
23 3JDW ORN 0.0258 0.4004 3.27869
24 2C7G FAD 0.03696 0.43106 3.60656
25 1P72 ADP 0.03785 0.41109 3.60656
26 1Y1A GSH 0.003954 0.44228 3.82514
27 2FWP ICR 0.04276 0.41255 3.82514
28 3U5S FAD 0.02679 0.40663 3.96825
29 1PR9 NAP 0.005546 0.45584 4.09836
30 2BNE U5P 0.02149 0.42644 4.14938
31 3K56 IS3 0.01495 0.40965 4.51128
32 4NES UDP 0.02343 0.4043 4.54545
33 2NW9 FT6 0.01179 0.4019 4.57516
34 1VQ2 DDN 0.0243 0.40354 4.66321
35 1EP2 FMN 0.01757 0.42436 4.91803
36 3VHZ L2P GLC MAN SGA 0.04816 0.4304 4.96183
37 1L2T ATP 0.01823 0.41795 5.10638
38 1B8U OAA 0.009942 0.44179 5.16717
39 3ICC NAP 0.0192 0.42727 5.57377
40 3GWT 066 0.02224 0.42287 5.57377
41 1GSA GSH 0.01322 0.41812 5.57377
42 3OND ADN 0.02718 0.43331 5.90164
43 3OND NAD 0.02718 0.43331 5.90164
44 4HA6 FAD 0.02844 0.42908 5.90164
45 1ZFJ IMP 0.03399 0.45001 5.90631
46 3I6B KDO 0.004462 0.42406 6.11111
47 3Q9T FAY 0.04399 0.41475 6.22951
48 2R42 FPS 0.009963 0.42585 6.55738
49 1FWE HAE 0.005157 0.42401 6.88525
50 2Q97 ATP 0.0271 0.40795 7.75194
51 2PWY SAH 0.03434 0.40434 8.13953
52 3WKX FUB 0.00444 0.4178 8.19672
53 1Y13 BIO 0.01647 0.40319 8.28729
54 3SVL FMN 0.02084 0.40676 8.80829
55 1T8U A3P 0.03351 0.40026 8.82353
56 4CCO OGA 0.00007755 0.42656 8.85246
57 1UZN NAP 0.005468 0.43247 9.31174
58 1H2M OGA 0.000005365 0.49481 9.61539
59 3OIG NAD 0.04571 0.4279 9.77444
60 3ZPG 5GP 0.005578 0.4136 11.4754
61 4NAO AKG 0.002633 0.40687 11.4754
Pocket No.: 8; Query (leader) PDB : 5EQU; Ligand: 5R6; Similar sites found: 10
This union binding pocket(no: 8) in the query (biounit: 5equ.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VV1 GAL FUC 0.009356 0.4489 1.875
2 3P3N AKG 0.00007784 0.50137 1.96721
3 4B7E OGA 0.000148 0.48087 1.96721
4 2WA4 069 0.00009197 0.4609 1.96721
5 1WRA PC 0.01597 0.40527 2.62295
6 2QX0 PH2 0.03158 0.41637 3.77358
7 2YMZ LAT 0.00422 0.46598 3.84615
8 5T7I LAT NAG GAL 0.03455 0.41708 5.80645
9 4M5P MLA 0.01741 0.4236 7.54098
10 1H2M OGA 0.00007307 0.50258 9.61539
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