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Receptor
PDB id Resolution Class Description Source Keywords
4IEN 2 Å EC: 3.1.2.20 CRYSTAL STRUCTURE OF ACYL-COA HYDROLASE FROM NEISSERIA MENIN FAM18 NEISSERIA MENINGITIDIS HOT DOG FOLD HYDROLASE
Ref.: EXPRESSION, PURIFICATION AND CRYSTALLIZATION OF ACE HYDROLASE FROM NEISSERIA MENINGITIDIS. ACTA CRYSTALLOGR.,SECT.F V. 69 1303 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP B:203;
D:203;
A:202;
C:202;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
COA D:202;
B:202;
A:201;
C:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
CL C:203;
A:203;
B:201;
D:201;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IEN 2 Å EC: 3.1.2.20 CRYSTAL STRUCTURE OF ACYL-COA HYDROLASE FROM NEISSERIA MENIN FAM18 NEISSERIA MENINGITIDIS HOT DOG FOLD HYDROLASE
Ref.: EXPRESSION, PURIFICATION AND CRYSTALLIZATION OF ACE HYDROLASE FROM NEISSERIA MENINGITIDIS. ACTA CRYSTALLOGR.,SECT.F V. 69 1303 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4IEN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4IEN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4IEN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Ligand no: 2; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: 255
This union binding pocket(no: 1) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3QRC SCR None
2 3TCT 3MI None
3 5F6U 5VK None
4 5HWV MBN None
5 1QKQ MAN None
6 1ULE GLA GAL NAG None
7 1GU3 BGC BGC BGC BGC BGC None
8 3EM0 CHD None
9 5AYT L6Y None
10 1NBU PH2 None
11 3ZXE PGZ None
12 5MW4 5JU None
13 4B2Z P5S None
14 6C8X BVR None
15 2YMZ LAT None
16 1IS3 LAT None
17 4XMF HSM None
18 3VV1 GAL FUC None
19 3KV8 FAH None
20 5OFW 9TW None
21 5EJL C2E 1.22699
22 1ZNY GDP 1.22699
23 3A5Y KAA 1.22699
24 5HV7 RBL 1.84049
25 4RD0 GDP 1.84049
26 4JGP PYR 1.84049
27 1O9U ADZ 1.84049
28 5YW5 ADE 1.84049
29 3JU6 ANP 1.84049
30 4G7A AZM 1.84049
31 3EFS BTN 1.84049
32 5JSP DQY 1.84049
33 4YGF AZM 1.84049
34 3SAO DBH 1.875
35 2Z77 HE7 2.15827
36 5FUI APY 2.27273
37 2NZ2 CIR 2.45399
38 3ZJX BOG 2.45399
39 5L2R MLA 2.45399
40 1TT8 PHB 2.45399
41 4C5N ACP 2.45399
42 6C5F 7L9 2.5641
43 2XOM GAL GAL GAL 2.63158
44 5U98 1KX 3.0303
45 3CBC DBS 3.06748
46 4RF7 ARG 3.06748
47 1F9V ADP 3.06748
48 5KJW 53C 3.06748
49 5WL1 CUY 3.06748
50 5WL1 D3D 3.06748
51 2RCU BUJ 3.06748
52 4IAW LIZ 3.06748
53 1WPY BTN 3.06748
54 3PP0 03Q 3.06748
55 4YRI 4JH 3.06748
56 2DXU BT5 3.06748
57 2JLD AG1 3.06748
58 3FW4 CAQ 3.06748
59 5J75 6GQ 3.06748
60 1KZN CBN 3.06748
61 6B3V ANP 3.06748
62 6B3V 7DQ 3.06748
63 4P8K FAD 3.06748
64 4P8K 38C 3.06748
65 1G51 AMP 3.06748
66 5HV0 AKG 3.06748
67 4QAC KK3 3.06748
68 2PNC CLU 3.68098
69 5D9G GLU ASN LEU TYR PHE GLN 3.68098
70 6EWZ APC 3.68098
71 4ZTD ALA GLY ALA GLY ALA 3.68098
72 2Z3U CRR 3.68098
73 6GWR FEW 3.68098
74 4Z3E GAL NGA GLA BGC GAL 3.68098
75 2QHV OC9 3.68098
76 4NOS ITU 3.68098
77 4FFG 0U8 3.68098
78 3ESS 18N 3.68098
79 2QHS OCA 3.68098
80 1N4K I3P 3.68098
81 2QPU QPU 3.68098
82 2QPU QPS 3.68098
83 6G1O GLV 3.68098
84 3VKX T3 3.68098
85 4M26 AKG 3.68098
86 5A89 ADP 3.84615
87 1NU4 MLA 4.12371
88 5KK4 44E 4.16667
89 2J9C ATP 4.20168
90 5EO8 TFU 4.29448
91 5OCG 9R5 4.29448
92 6FA4 D1W 4.29448
93 5GLT BGC GAL NAG GAL 4.29448
94 3RWP ABQ 4.29448
95 2WLG SOP 4.29448
96 1UNB PN1 4.29448
97 1UNB AKG 4.29448
98 5MU6 KFK 4.29448
99 5MU6 MYA 4.29448
100 2XVD AS6 4.29448
101 5H9Y BGC BGC BGC BGC 4.29448
102 4DC2 ADE 4.29448
103 3I3X U22 4.29448
104 4LOO SB4 4.29448
105 6EK3 OUL 4.29448
106 4Z87 GDP 4.29448
107 6F3G CJN 4.29448
108 3L9R L9Q 4.29448
109 5YXC CIT 4.29448
110 6A63 LAT 4.34783
111 6GNO XDI 4.44444
112 5NIU 8YZ 4.6875
113 5N2F 8HW 4.83871
114 1KOR ARG 4.90798
115 1KOR SIN 4.90798
116 1KOR ANP 4.90798
117 1SDW IYT 4.90798
118 5VLQ ANP 4.90798
119 4YVN EBS 4.90798
120 2VN9 GVD 4.90798
121 1HXD BTN 4.90798
122 1OFL NGK GCD 4.90798
123 1C1D PHE 4.90798
124 1BXG HCI 4.90798
125 4REP FAD 4.90798
126 4WOE ADP 4.90798
127 4MNS 2AX 5.03145
128 3NV3 GAL NAG MAN 5.07246
129 2VDF OCT 5.52147
130 1RYD GLC 5.52147
131 1KDK DHT 5.52147
132 4XH0 ADP 5.52147
133 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 5.52147
134 4BTV RB3 5.52147
135 4N70 2HX 5.52147
136 4YBN FAD 5.52147
137 4FE2 AIR 5.52147
138 1U6R ADP 5.52147
139 2QLU ADE 5.52147
140 5MUA GAL 5.52147
141 5NFB 8VT 5.52147
142 2AGC DAO 5.55556
143 1GT4 UNA 5.66038
144 2GTF P1R 6.13497
145 5YJS SAL 6.13497
146 2G30 ALA ALA PHE 6.13497
147 5JIC ADP 6.13497
148 5JIC N7E 6.13497
149 5DQ8 FLF 6.13497
150 3QSB 743 6.13497
151 1I1E DM2 6.13497
152 5V1B 8UY 6.13497
153 5HCY 60D 6.13497
154 4R81 FMN 6.13497
155 3VRY B43 6.13497
156 2IU8 PLM 6.13497
157 2ZQO NGA 6.15385
158 4WHZ 3NL 6.74847
159 3A5Z KAA 6.74847
160 5FPE 3TR 6.74847
161 5H2U 1N1 6.74847
162 2B56 U5P 6.74847
163 2RHQ GAX 6.74847
164 5C5T AKG 6.74847
165 3HKW IX6 6.74847
166 5HES 032 6.74847
167 3QXV MTX 7.14286
168 1WZ1 DNS 7.31707
169 2Y6Q I7T 7.36196
170 5T8U LPA 7.36196
171 1VJY 460 7.36196
172 3JQ3 ADP 7.36196
173 2JIG PD2 7.36196
174 3JQA DX4 7.36196
175 1T7Q COA 7.36196
176 1T7Q 152 7.36196
177 3TBK ANP 7.36196
178 1LNX URI 7.40741
179 2CJU PHX 7.43802
180 4RYV ZEA 7.74194
181 3UG4 AHR 7.97546
182 4LH7 1X8 7.97546
183 5TUF TDC 7.97546
184 4CS4 AXZ 7.97546
185 1VRP ADP 7.97546
186 5TUF FAD 7.97546
187 4CS4 ANP 7.97546
188 2YKL NLD 7.97546
189 4TWP AXI 7.97546
190 5MRH Q9Z 7.97546
191 3H0L ADP 7.97546
192 5LUN OGA 7.97546
193 1H8S AIC 7.97546
194 6E1Q CFA 7.97546
195 3IWD M2T 8.06452
196 1MDC PLM 8.33333
197 5DYO FLU 8.58896
198 5Y72 DST 8.58896
199 6D61 4AA 8.58896
200 4ONA UW1 8.58896
201 2C78 PUL 8.58896
202 4YMJ 4EJ 8.58896
203 4XPQ FUL 8.58896
204 2F2H XTG 9.20245
205 3WG3 A2G GAL NAG FUC 9.20245
206 2F2U M77 9.20245
207 4COQ SAN 9.20245
208 6D6L FY4 9.20245
209 3M3E GAL A2G NPO 9.31677
210 4TW7 37K 9.375
211 3RF4 FUN 9.48276
212 6MPT C30 9.81595
213 3OQJ 3CX 9.81595
214 1JJE BYS 9.81595
215 1ELI PYC 9.81595
216 1SQL GUN 10.274
217 1E1O LYS 10.4294
218 4XTX 590 10.4294
219 1TZD ADP 10.4294
220 1A78 TDG 10.4478
221 5G48 1FL 11.0429
222 1GPM AMP 11.0429
223 3E9I XAH 11.6564
224 3G08 FEE 11.6564
225 3A7R LAQ 11.6564
226 2ART LPA AMP 11.6564
227 3DLG GWE 11.6564
228 1A5Z FBP 12.2699
229 2EB5 OXL 12.2699
230 2D6M LBT 12.5786
231 2QIA U20 12.8834
232 5Y4R C2E 12.8834
233 3WV6 GAL GLC 13.4969
234 3WV6 GAL BGC 13.4969
235 3DTU DXC 13.4969
236 4K55 H6P 13.7097
237 2VL1 GLY GLY 14.1104
238 1LSH PLD 14.1104
239 3I9U DTU 14.1104
240 4NV7 COA 14.1104
241 5W4W 9WG 14.1104
242 4KBA 1QM 14.1104
243 5VNF VAL THR SER VAL VAL 14.7239
244 3FW3 GLC 14.7239
245 4FK7 P34 15.9509
246 2OQ2 A3P 15.9509
247 1KGI T4A 16.5354
248 6DZN AE3 16.5644
249 2GU8 796 16.5644
250 3G5D 1N1 17.7914
251 3KYF 5GP 5GP 17.7914
252 2AG4 LP3 18.4049
253 2AG4 OLA 18.4049
254 4DQ2 BTX 19.0184
255 4MOB ADP 47.8528
Pocket No.: 2; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: 40
This union binding pocket(no: 4) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 6CS9 PIO None
2 1SLT NDG GAL None
3 3WUD GLC GAL None
4 3KH5 ADP 1.84049
5 4GQY AMP 1.84049
6 6GH9 MIX 2.45399
7 5VC5 96M 3.06748
8 4WCX MET 3.68098
9 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.68098
10 2E5A LAQ 3.68098
11 3MF2 AMP 3.68098
12 5A89 FMN 3.84615
13 4F7E 0SH 4.08163
14 5N2D 8J8 4.16667
15 5HVJ ANP 4.29448
16 4WZ8 3W7 4.29448
17 3L9R L9R 4.29448
18 6CC0 EWM 4.29448
19 1IGJ DGX 4.90798
20 2WEL K88 4.90798
21 4QMN DB8 4.90798
22 3PE2 E1B 6.13497
23 4ITH RCM 6.13497
24 5TA6 79D 6.14525
25 3FXU TSU 6.74847
26 1MAI I3P 6.87023
27 3A16 PXO 7.36196
28 5FYR INS 7.97546
29 1ZX5 LFR 7.97546
30 4X3R 686 8.58896
31 1F3D TPM 8.58896
32 4OTH DRN 8.58896
33 5HC0 NPO 9.20245
34 5ALC TIQ 9.20245
35 5L4R CPT 9.81595
36 2Z49 AMG 9.81595
37 5M0T AKG 9.81595
38 2Z48 A2G 9.81595
39 4OYA 1VE 11.0429
40 4O9S 2RY 13.4969
Pocket No.: 5; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ien.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: 48
This union binding pocket(no: 7) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1PTR PRB None
2 4K49 HFQ None
3 3AJ6 NGA None
4 3KV8 FAH None
5 2ZL4 ALA ALA ALA ALA None
6 3NBC LAT 2.02703
7 5C9P FUC 2.45399
8 5G3L SIA 3.0303
9 4HZO COA 3.06748
10 4CS9 AMP 3.06748
11 2EUG URA 3.06748
12 4N14 WR7 3.06748
13 6F5W KG1 3.68098
14 5NJI 8Z2 3.68098
15 4R4U COA 3.68098
16 5KK4 44E 4.16667
17 4CQK PIO 4.25532
18 3RWP ABQ 4.29448
19 3KLL MAL 4.29448
20 6FA4 GNP 4.29448
21 4K4D HFQ 4.37956
22 4UCI ADN 4.90798
23 1MJT NAD 4.90798
24 5UWJ GNP 4.90798
25 2RIF AMP 4.96454
26 3VOZ 04A 5.52147
27 5WJ6 B4A 5.52147
28 6B74 BEN 6.13497
29 1I1E DM2 6.13497
30 3R35 4CO 6.62252
31 3VSV XYS 7.36196
32 3B2Q AES 7.36196
33 1WA5 GTP 7.36196
34 1PN4 HDC 7.97546
35 1JBU BEN 9.52381
36 1OBD AMP 9.81595
37 3ZW2 NAG GAL FUC 11.4943
38 2EB5 OXL 12.2699
39 1IG0 VIB 12.8834
40 4M20 COA 18.8976
41 3F5O UOC COA 19.5946
42 4MZQ 1VU 24.3056
43 2CYE COA 27.8195
44 1WN3 HXC 37.5
45 4ZRB COA 37.9562
46 3BJK CIT 38.5621
47 4MOB COA 47.8528
48 1VPM COA 48.4663
Pocket No.: 8; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: 15
This union binding pocket(no: 10) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5L2R MLA 2.45399
2 1D8C SOR 2.45399
3 3MYZ TFX 3
4 4K81 GTP 3.68098
5 5NGZ 2BG 4.29448
6 5UWH GNP 4.90798
7 1GUA GNP 5.52147
8 2ZQO NGA 6.15385
9 4YKI GLY 6.74847
10 4GN8 ASO 7.36196
11 2GJ5 VD3 7.40741
12 1RZM E4P 7.97546
13 4CVN ADP 8.0292
14 1XF1 CIT 8.58896
15 3TTM PUT 12.2699
Pocket No.: 11; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4ien.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: 13
This union binding pocket(no: 13) in the query (biounit: 4ien.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1CBK ROI None
2 1I0B PEL 1.84049
3 5CSS G3P 4.29448
4 3AB4 THR 4.90798
5 1IBR GNP 4.90798
6 5DHF GNP 4.90798
7 5DIF GNP 4.90798
8 3CF6 SP1 5.52147
9 2Y7P SAL 7.97546
10 3UW5 MAA CHG PRO 0DQ 9.48276
11 1LSH PLD 14.1104
12 5ISY NAD 20.2454
13 4OIT BMA 31.8584
Pocket No.: 14; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4ien.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4ien.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: 24
This union binding pocket(no: 16) in the query (biounit: 4ien.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2BS5 BGC GAL FUC None
2 4USI ATP None
3 3LF0 ATP None
4 4CSD MFU 1.84049
5 2RDE C2E 1.84049
6 2CFM AMP 3.06748
7 6E8I PTR 3.06748
8 4X5S AZM 3.06748
9 3HXU A5A 3.06748
10 2W5P CL8 3.3557
11 5XDT ZI7 3.68098
12 5BVE 4VG 3.68098
13 3QRY DMJ 3.68098
14 1K97 ASP 3.68098
15 1K97 CIR 3.68098
16 3L5R 47X 4.09836
17 2V7O DRN 4.90798
18 3PN1 IVH 5.52147
19 1F5F DHT 5.52147
20 6CED EYA 6.54206
21 5HW4 SAM 6.74847
22 2E0N SAH 7.97546
23 4HNN LYS 11.0429
24 1KC7 PPR 17.1779
Pocket No.: 17; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4ien.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4ien.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: 9
This union binding pocket(no: 19) in the query (biounit: 4ien.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3LQV ADE None
2 5YW5 ADE 1.84049
3 3A76 SPD 3.06748
4 4UBS DIF 3.68098
5 5UWU GNP 4.90798
6 5UWP GNP 4.90798
7 5DI9 GNP 4.90798
8 5UWW GNP 4.90798
9 3O03 GCO 7.97546
Pocket No.: 20; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4ien.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4IEN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4ien.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: 29
This union binding pocket(no: 22) in the query (biounit: 4ien.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5D3X 4IP None
2 3KYG 5GP 5GP 1.84049
3 2ZV2 609 2.45399
4 1Q8Y ADE 2.45399
5 2P69 PLP 2.45399
6 2P9H IPT 3.06748
7 4JZ8 CIT 3.06748
8 5XIO HFG 3.06748
9 5EW9 5VC 3.68098
10 6DW2 HD4 3.68098
11 1JPA ANP 4.90798
12 4P5Z Q7M 4.90798
13 3B6R ADP 4.90798
14 4HWS 1B3 6.13497
15 4KCT PYR 6.13497
16 4CQE CQE 6.74847
17 3GFS FMN 7.36196
18 2HK9 SKM 7.97546
19 2V5E SCR 9.81595
20 3DU4 KAP 9.81595
21 5TZO 7V7 11.0429
22 3TAY MN0 11.0429
23 3RUG DB6 11.6564
24 3MVH WFE 12.8834
25 2X1E X1E 12.8834
26 3NZ1 3NY 13.4969
27 5LXT GTP 16.0839
28 4S1D 41M 21.4724
29 2PEL LBT 21.4724
Pocket No.: 23; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4ien.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4IEN; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4ien.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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