-->
Receptor
PDB id Resolution Class Description Source Keywords
3EW2 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF RHIZAVIDIN-BIOTIN COMPLEX RHIZOBIUM ETLI HIGH AFFINITY RHIZAVIDIN BIOTIN AVIDIN STREPTAVIDIN UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF RHIZAVIDIN: INSIGHTS INTO THE ENIGMATIC HIGH-AFFINITY INTERACTION OF AN INNATE BIOTIN-BINDING PROTEIN DIMER. J.MOL.BIOL. V. 386 379 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTN A:400;
B:500;
C:600;
D:700;
E:800;
F:900;
G:350;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
submit data
244.311 C10 H16 N2 O3 S C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EW2 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF RHIZAVIDIN-BIOTIN COMPLEX RHIZOBIUM ETLI HIGH AFFINITY RHIZAVIDIN BIOTIN AVIDIN STREPTAVIDIN UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF RHIZAVIDIN: INSIGHTS INTO THE ENIGMATIC HIGH-AFFINITY INTERACTION OF AN INNATE BIOTIN-BINDING PROTEIN DIMER. J.MOL.BIOL. V. 386 379 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2G5L - FME ASP VAL GLU ALA TRP LEU n/a n/a
2 3WZO - ZOE C16 H27 N3 O5 S C1[C@H]2[C....
3 2RTM - IMI C10 H17 N3 O2 S C1[C@H]2[C....
4 4Y59 Kd = 5.8 uM T21 C14 H8 F3 N O2 c1cc(cc(c1....
5 1NQM - BTN C10 H16 N2 O3 S C1[C@H]2[C....
6 1VWQ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
7 1NC9 - IMI C10 H17 N3 O2 S C1[C@H]2[C....
8 2RTI - GLL C4 H6 N4 O2 C12C(NC(=O....
9 5B5G Kd = 5.6 uM 6FX C14 H10 N2 O4 COC(=O)c1c....
10 4Y5D Kd = 1.2 uM MT6 C15 H11 N O4 COC(=O)c1c....
11 1SRJ - NAB C17 H12 N2 O3 c1ccc2c(c1....
12 4CPF - LH3 C32 H34 N4 O6 S COC(=O)c1c....
13 1NDJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
14 2IZL Kd = 1 uM IMI C10 H17 N3 O2 S C1[C@H]2[C....
15 2RTJ - GLL C4 H6 N4 O2 C12C(NC(=O....
16 1SWR Kd = 0.12 uM BTN C10 H16 N2 O3 S C1[C@H]2[C....
17 1SWE - BTN C10 H16 N2 O3 S C1[C@H]2[C....
18 1SRF - MTB C17 H18 N2 O3 CC(C)(C)c1....
19 2RTO - IMI C10 H17 N3 O2 S C1[C@H]2[C....
20 1SWT - BTN C10 H16 N2 O3 S C1[C@H]2[C....
21 1SWP Ka = 100000000 M^-1 BTN C10 H16 N2 O3 S C1[C@H]2[C....
22 1VWG - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
23 2RTF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
24 1VWC - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
25 1STS Ki = 10 uM PHE CYS HIS PRO GLN ASN THR NH2 n/a n/a
26 2IZI - BTN C10 H16 N2 O3 S C1[C@H]2[C....
27 1VWN Kd ~ 1500 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
28 2IZF - BTN C10 H16 N2 O3 S C1[C@H]2[C....
29 1SWD - BTN C10 H16 N2 O3 S C1[C@H]2[C....
30 1LCW - SHM C11 H18 N2 O3 S C1[C@H]2[C....
31 1RXK - BNI C16 H20 N4 O4 S c1cc(ccc1N....
32 1SRG Ki = 5 uM MHB C14 H12 N2 O3 Cc1cc(ccc1....
33 1I9H - BNI C16 H20 N4 O4 S c1cc(ccc1N....
34 1VWR - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
35 2IZH - BTN C10 H16 N2 O3 S C1[C@H]2[C....
36 2RTP - IMI C10 H17 N3 O2 S C1[C@H]2[C....
37 1SLD Kd = 270 nM ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
38 1KL3 Kd = 1.37 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
39 1DF8 Kd = 0.2 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
40 3T6F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
41 1VWO - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
42 1VWK - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
43 1SLG Kd = 125 uM PHE SER HIS PRO GLN ASN THR n/a n/a
44 2RTQ - IMI C10 H17 N3 O2 S C1[C@H]2[C....
45 1N43 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
46 3WZN - BTN C10 H16 N2 O3 S C1[C@H]2[C....
47 1VWD - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
48 2Y3F - BTN C10 H16 N2 O3 S C1[C@H]2[C....
49 1VWL Kd = 2.33 uM HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
50 1VWA - PHE SER HIS PRO GLN ASN THR n/a n/a
51 2IZG - BTN C10 H16 N2 O3 S C1[C@H]2[C....
52 3MG5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
53 1SRI Ki = 0.83 uM DMB C15 H14 N2 O3 Cc1cc(cc(c....
54 1KL5 Kd = 1 uM ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
55 1VWH - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
56 1PTS - PHE SER HIS PRO GLN ASN THR n/a n/a
57 1MK5 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
58 1LUQ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
59 1VWB - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
60 2IZK - GLL C4 H6 N4 O2 C12C(NC(=O....
61 1VWE - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
62 2RTN - IMI C10 H17 N3 O2 S C1[C@H]2[C....
63 1MEP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
64 3WYP - BTN C10 H16 N2 O3 S C1[C@H]2[C....
65 2RTL - IMI C10 H17 N3 O2 S C1[C@H]2[C....
66 1N9M - BTN C10 H16 N2 O3 S C1[C@H]2[C....
67 1VWI - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
68 2IZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
69 1STR Ki = 17 uM ACE CYS HIS PRO GLN ASN THR NH2 n/a n/a
70 1VWP - ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2 n/a n/a
71 1VWJ - HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA n/a n/a
72 1LCV - SNR C9 H14 N2 O3 S C1[C@H]2[C....
73 1RSU Kd = 72 uM SER ASN TRP SER HIS PRO GLN PHE GLU LYS n/a n/a
74 2RTH - GLL C4 H6 N4 O2 C12C(NC(=O....
75 5B5F Kd = 5.6 uM 6F3 C14 H12 N2 O4 S CNS(=O)(=O....
76 2F01 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
77 1VWM - ACE CYS HIS PRO GLN PHE CYS NH2 n/a n/a
78 2GH7 Kd ~ 0.1 pM BTN C10 H16 N2 O3 S C1[C@H]2[C....
79 4JNJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
80 2JGS Kd = 10 fM BTN C10 H16 N2 O3 S C1[C@H]2[C....
81 3SZJ - BTN C10 H16 N2 O3 S C1[C@H]2[C....
82 3T2W Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
83 3RDQ Kd = 0.49 nM DTB C10 H18 N2 O3 C[C@H]1[C@....
84 3RDO Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
85 3RDM Kd = 0.14 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
86 2OF8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
87 2FHL - BNI C16 H20 N4 O4 S c1cc(ccc1N....
88 2OFB - BNI C16 H20 N4 O4 S c1cc(ccc1N....
89 3X00 Kd = 0.83 nM ZOF ZOF EDN n/a n/a
90 2A5C Kd = 24 uM 8DA C10 H15 N5 O4 C1[C@H]([C....
91 3VGW Ka = 200000 M^-1 NVZ C12 H18 N2 O4 S CC(=O)N1[C....
92 1IJ8 - BNI C16 H20 N4 O4 S c1cc(ccc1N....
93 3VHI Ka = 2300000 M^-1 VHI C18 H22 N2 O5 S c1ccc(cc1)....
94 2A8G Kd = 205 uM GNG C10 H13 N5 O4 c1nc2c(n1[....
95 4I60 Kd = 1.87 uM B1R C20 H16 N2 O2 Ru S C1[C@H]2[C....
96 5IRW - D9P C26 H26 N2 O2 C[C@H]1[C@....
97 5F2B - 9RU C31 H41 Cl2 N5 O2 Ru S Cc1cc(c(c(....
98 4OKA - 5IR C18 H26 Ir N5 O4 S2 c1cc(ccc1N....
99 6AUL - BTN C10 H16 N2 O3 S C1[C@H]2[C....
100 4GJV - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
101 6ESU Ki = 249.3 mM 6IR C18 H27 N5 O4 S2 c1cc(ccc1N....
102 4GJS - 0OD C21 H32 Cl3 N3 O2 Rh S CC12=C3([R....
103 2WPU Kd < 60 nM KYT C24 H39 Cl N5 O2 Ru S CC1=[CH]2C....
104 3PK2 - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
105 6ESS - 4IR C28 H45 Cl Ir N5 O4 S2 C[CH]12[CH....
106 2ZSC - BTN C10 H16 N2 O3 S C1[C@H]2[C....
107 3EW2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
108 5N99 Kd = 61.3 uM ASN GLN DPR TRP GLN n/a n/a
109 4GGZ Kd = 0.066 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
110 2UYW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
111 2UZ2 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
112 1SWG Kd = 43.9 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
113 4GD9 - BTN C10 H16 N2 O3 S C1[C@H]2[C....
114 4BCS Kd = 103 nM BTN C10 H16 N2 O3 S C1[C@H]2[C....
115 4EKV Kd = 0.00000145 M BTN C10 H16 N2 O3 S C1[C@H]2[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTQ 1 1
2 BTN 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 BNI 0.554054 0.656716
11 41M 0.554054 0.830189
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 171
This union binding pocket(no: 1) in the query (biounit: 3ew2.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXG OTP None
2 1QIN GIP None
3 1QY1 PRZ None
4 3T50 FMN None
5 2BOS GLA GAL None
6 5SVV FMN None
7 2BOS GLA GAL GLC None
8 5BU3 4W9 None
9 2Z77 HE7 None
10 4HIA FMN None
11 1N9L FMN None
12 4RJD TFP None
13 5A67 3PO None
14 5KO1 6UY None
15 2C2A ADP None
16 1KGI T4A None
17 1KQW RTL 0.746269
18 2GJ5 VD3 1.48148
19 1VYF OLA 1.48148
20 4BXF AKG 1.48148
21 4RPO T6C 1.48148
22 3D72 FAD 2.22222
23 6EOZ 58K 2.22222
24 6EOZ AKG 2.22222
25 3IS2 FAD 2.22222
26 2DIO EOD 2.22222
27 5LXB 7A9 2.22222
28 1U7T NAD 2.22222
29 2EWM NAD 2.22222
30 2NP9 YE1 2.22222
31 1BAI 0Q4 2.41935
32 4OMJ 2TX 2.96296
33 1OLM VTQ 2.96296
34 4MNS 2AX 2.96296
35 2GC0 PAN 2.96296
36 2HZQ STR 2.96296
37 2JIG PD2 2.96296
38 2ZJF BSU 2.96296
39 4WUJ FMN 2.96296
40 2P8B NSK 2.96296
41 3NJQ NJQ 2.96296
42 4H69 10Y 2.96296
43 1J3R 6PG 2.96296
44 4R38 RBF 3.7037
45 5N87 N66 3.7037
46 2OBF F83 3.7037
47 1MJJ HAL 3.7037
48 2WKQ FMN 3.7037
49 5EIB GTP 3.7037
50 3FW4 CAQ 3.7037
51 4LNU GTP 3.7037
52 4LNU GDP 3.7037
53 3RYC GTP 3.7037
54 1SU2 ATP 3.7037
55 4D06 NAR 3.7037
56 4QDC ASD 3.7037
57 2GQS C2R 3.7037
58 1J0D 5PA 3.7037
59 4AZW ATP 3.7037
60 3WIR BGC 3.7037
61 3LF0 ATP 4.38596
62 1ZB6 GST 4.44444
63 1V7R CIT 4.44444
64 5THQ NDP 4.44444
65 3D91 REM 4.44444
66 2TPS TPS 4.44444
67 3PQB VGP 4.44444
68 5FQK 6NT 4.44444
69 5DKK FMN 4.44444
70 5UIU 8CG 4.44444
71 3C0G 3AM 4.44444
72 3GM5 CIT 5.18518
73 5HV0 AKG 5.18518
74 4CCK OGA 5.18518
75 4Y3O OGA 5.18518
76 4CCN OGA 5.18518
77 4J36 1HR 5.18518
78 3KV4 OGA 5.18518
79 4CCO OGA 5.18518
80 5C3R HMU 5.18518
81 5C3R AKG 5.18518
82 4R3U 3HC 5.18518
83 4R3U 3KK 5.18518
84 1SNY NAP 5.18518
85 5JWP AKG 5.18518
86 4J25 OGA 5.18518
87 4B7E OGA 5.18518
88 2XIQ MLC 5.18518
89 3E2M E2M 5.18518
90 6BXI ANP 5.18518
91 5ML3 DL3 5.92593
92 3RGA LSB 5.92593
93 4FFG LBS 5.92593
94 2HZY DHJ 5.92593
95 2GVJ DGB 5.92593
96 4CQM NAP 5.92593
97 2E56 MYR 5.92593
98 3RGA ILD 5.92593
99 3GNI ATP 5.92593
100 3WSJ MK1 6.03448
101 3NNF AKG 6.66667
102 1UNB PN1 6.66667
103 1UNB AKG 6.66667
104 4ZOA IFM 6.66667
105 5TBM 79A 6.83761
106 1G72 PQQ 7.24638
107 2YNE NHW 7.40741
108 2YNE YNE 7.40741
109 5DJT FMN 7.40741
110 2V0U FMN 7.40741
111 5Y9D FAD 7.40741
112 5EFW FMN 7.40741
113 5DJU FMN 7.40741
114 4XF6 ADP 7.40741
115 4XF6 INS 7.40741
116 4XF6 LIP 7.40741
117 2VGD XYP XYP 7.40741
118 3KV5 OGA 7.40741
119 3X0Y FMN 7.40741
120 4IJP 1EH 7.40741
121 1LDM OXM 7.40741
122 5I0U DCY 7.40741
123 4QED NAP 8.14815
124 1TQP ATP 8.14815
125 3F5O UOC COA 8.14815
126 5YIC 8VO 8.14815
127 4P7X AKG 8.14815
128 4P7X YCP 8.14815
129 4EVQ PHB 8.14815
130 1OGX EQU 8.39695
131 2GOO NDG 8.82353
132 6MPT C30 8.88889
133 4H6B 10Y 8.88889
134 4H6B 10X 8.88889
135 1LRW PQQ 8.88889
136 1W6S PQQ 8.88889
137 2QL9 CIT 9.27835
138 3N9Q OGA 9.62963
139 3N9P OGA 9.62963
140 3N9O OGA 9.62963
141 4FE2 AIR 9.62963
142 3ZIU LSS 9.62963
143 4NS0 PIO 10.5263
144 3G08 FEE 11.1111
145 5IQT 6CU 11.1111
146 1GTE FMN 11.1111
147 1GTE IUR 11.1111
148 3P7N FMN 11.1111
149 3TKY N7I 11.1111
150 5IQT AKG 11.1111
151 2D0V PQQ 12.5
152 5B09 4MX 12.5
153 3A7R LAQ 12.5926
154 6FKW PQQ 12.5926
155 4B1M FRU FRU 13.3333
156 5EO8 TFU 13.3333
157 1GP6 QUE 14.0741
158 1GP6 SIN 14.0741
159 1GP6 DH2 14.0741
160 2CSN CKI 14.0741
161 1Q9I FAD 14.8148
162 1Q9I TEO 14.8148
163 2RHQ GAX 15.5556
164 5O9W AKG 16.2963
165 3DZ6 PUT 17.9104
166 1I7M PUT 17.9104
167 4AMW 5DI 18.5185
168 4QXB OGA 20
169 1NWW HPN 20.7407
170 5KD6 6C7 21.4815
171 5LJB RTL 25.1852
Pocket No.: 2; Query (leader) PDB : 3EW2; Ligand: BTN; 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: 3ew2.bio3) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 91
This union binding pocket(no: 3) in the query (biounit: 3ew2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6BU0 IHP None
2 3Q8G PEE None
3 4IAE 1DX None
4 4J7U NAP None
5 4J7U YTZ None
6 1LFO OLA None
7 1I06 TZL None
8 2R5V HHH None
9 3AFN NAP None
10 3G5N PB2 None
11 4GCZ FMN 1.48148
12 2Z6D FMN 1.53846
13 1E3W NAD 2.22222
14 1E6W NAD 2.22222
15 1U7T TDT 2.22222
16 2XK9 XK9 2.22222
17 1Q6O LG6 2.22222
18 2Z6C FMN 2.32558
19 3OIG NAD 2.96296
20 3OJF IMJ 2.96296
21 3OJF NDP 2.96296
22 2HKA C3S 3.07692
23 4AT0 FAD 3.7037
24 4EUU BX7 3.7037
25 4XCB AKG 3.7037
26 1R5L VIV 3.7037
27 1XKQ NDP 3.7037
28 2AG5 NAD 3.7037
29 1Q8Y ADP 3.7037
30 2CHT TSA 3.93701
31 3AYI HCI 4.44444
32 3AYI FAD 4.44444
33 1EWF PC1 4.44444
34 4B7S QLE 4.44444
35 4J8T DOG 4.44444
36 6CUZ FEV 4.44444
37 5JSP DQY 4.44444
38 3LPF Z77 4.44444
39 3H9A PPY 4.44444
40 5D3U TRP 4.44444
41 3WUR O4B 4.44444
42 4FC7 NAP 5.18518
43 4FC7 COA 5.18518
44 3EWK FAD 5.18518
45 3I6I NDP 5.18518
46 2Y0I AKG 5.18518
47 5Y4K AKR 5.18518
48 4NBU NAI 5.18518
49 1QD1 FON 5.92593
50 2GAG NAD 5.92593
51 1VA6 ADP 5.92593
52 1TZD ADP 5.92593
53 3B1Q NOS 5.92593
54 2FCU AKG 5.92593
55 2C49 ADN 5.92593
56 5GVL PLG 5.92593
57 5GVL GI8 5.92593
58 2WCV FUC 5.92593
59 5A1T OXM 6.66667
60 5HWO HMG 6.66667
61 5GWT SIN 6.66667
62 2FXD DR7 7.07071
63 1BZL GCG 7.40741
64 2C29 NAP 7.40741
65 2C29 DQH 7.40741
66 3VZS CAA 7.40741
67 4IYO 0JO 8.14815
68 4IY7 0JO 8.14815
69 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 8.88889
70 3PFG SAM 8.88889
71 3PFG TLO 8.88889
72 2PR5 FMN 9.09091
73 5IXH OTP 9.62963
74 3PUR 2HG 9.62963
75 5U98 1KX 9.62963
76 3K4Z CBI 11.1111
77 3QUZ QUV 11.1111
78 3PUA OGA 11.1111
79 1FWE HAE 11.1111
80 4M1U A2G MBG 11.4286
81 5HA0 LTD 11.8519
82 4KP7 NAP 12.5926
83 4KP7 1UQ 12.5926
84 3SLS ANP 12.5926
85 6DAM PQQ 13.3333
86 5A5W GUO 14.0741
87 3NUG NAD 14.8148
88 3AD8 NAD 15.1515
89 3SJU NDP 16.2963
90 4KTP BGC 17.037
91 2REG CHT 23.7037
Pocket No.: 4; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 3ew2.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4HKP TKW None
2 1O68 KIV None
3 5U9J GER None
4 3KFF XBT None
5 3KFF ZBT None
6 3MTX PGT 1.48148
7 2JAH NDP 2.22222
8 6A0S NDP 2.22222
9 6A0S HSE 2.22222
10 3E85 BSU 2.96296
11 4WNK 453 3.7037
12 2OBF SAH 3.7037
13 2J7T 274 3.7037
14 2ZRU FMN 5.18518
15 3MPI GRA 5.18518
16 5XM3 PQQ 5.18518
17 1H2K OGA 5.18518
18 5LY2 OGA 5.18518
19 1H2M OGA 5.18518
20 2XUM OGA 5.18518
21 3NTA FAD 5.18518
22 4NW6 2NS 5.18518
23 3P3N AKG 5.18518
24 5FWE OGA 5.18518
25 4XAC AKG 5.18518
26 1VA6 P2S 5.92593
27 2J8C U10 5.92593
28 5C5T AKG 5.92593
29 5X30 7XF 5.92593
30 4XJ7 ADE 5.92593
31 5YBN AKG 5.92593
32 2A8X FAD 6.66667
33 4M52 FAD 6.66667
34 4NBW NAD 6.66667
35 6FXR AKG 6.66667
36 5A61 3PO 6.66667
37 5ZFJ 9BF 7.40741
38 1IND EOT 8.14815
39 1E5F PLP 8.14815
40 4Y30 SAH 8.14815
41 1KEV NDP 9.62963
42 5LUN OGA 9.62963
43 2WYA HMG 11.1111
44 1D6H COA 13.3333
45 1VEM GLC GLC 17.7778
46 4P87 4NP 18.5185
47 5KD6 LBU 21.4815
Pocket No.: 5; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 27
This union binding pocket(no: 5) in the query (biounit: 3ew2.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5DQ8 FLF None
2 5TSU CYS 2.22222
3 3O5N BR0 2.67857
4 4L9I 8PR 2.96296
5 6C0T EE4 2.96296
6 1IY8 NAD 3.7037
7 1XHL NDP 3.7037
8 5T2U NAP 3.7037
9 2GN4 UD1 4.44444
10 1G0N NDP 5.18518
11 1G0N PHH 5.18518
12 5K4W THR 5.92593
13 1FQ5 0GM 6.66667
14 1I1N SAH 6.66667
15 3S43 478 7.07071
16 3VZS NAP 7.40741
17 3KA2 2NC 7.40741
18 3GE7 AFQ 7.40741
19 3FSM 2NC 7.40741
20 3FC4 EDO 8.14815
21 1Z03 OCH 8.14815
22 5KGS 6SR 9.62963
23 1RE8 BD2 11.1111
24 1PVN MZP 11.1111
25 3PF7 MLA 11.1111
26 5HCN DAO 11.1111
27 5KEW 6SB 12.5926
Pocket No.: 6; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 40
This union binding pocket(no: 6) in the query (biounit: 3ew2.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5EW9 5VC None
2 2YG2 S1P None
3 6GG9 FMN None
4 1VLH PNS None
5 2DKN NAI None
6 4EES FMN None
7 4OTK MLI 2.22222
8 1Z6Z NAP 2.96296
9 4Z87 GDP 2.96296
10 5BVB DOG 3.0303
11 3ANY 2A3 3.7037
12 5HCY 60D 4.44444
13 4D42 NAP 4.44444
14 4D42 W0I 4.44444
15 5FS0 5JC 5.18518
16 3ORK AGS 5.18518
17 4FG8 ATP 5.18518
18 3ZV6 NAD 5.18518
19 3ZV6 4HB 5.18518
20 6CI9 NAP 5.18518
21 5UR1 YY9 5.18518
22 1YNH SUO 5.92593
23 3TYZ XHP 5.92593
24 3TYZ PAB 5.92593
25 1YKD CMP 5.92593
26 5T9C G3P 5.92593
27 3OVR 5SP 5.92593
28 2V3V MGD 6.66667
29 5G61 FNY 6.66667
30 5GWT NAD 6.66667
31 4P8K 38C 7.40741
32 4P8K FAD 7.40741
33 3T3C 017 8.08081
34 3VSV XYP 8.14815
35 1OIJ AKG 8.88889
36 6EJ2 B7E 9.62963
37 5UKL SIX 10.3704
38 1NVM OXL 11.1111
39 2WSB NAD 14.0741
40 5L9B AKG 17.0635
Pocket No.: 7; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 45
This union binding pocket(no: 7) in the query (biounit: 3ew2.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZC STU None
2 4K49 HFQ None
3 2YAK OSV None
4 3LXN MI1 2.22222
5 4L3L 5FI 2.22222
6 4G31 0WH 2.22222
7 2JLD AG1 2.96296
8 6GBV FMN 2.96296
9 5GT9 NAP 2.96296
10 3DJL FAD 2.96296
11 5EVY SAL 2.96296
12 2NYA MGD 3.7037
13 5ITZ GDP 3.7037
14 3RFV NAI 3.7037
15 1Q8Y ADE 3.7037
16 2E9L BGC 4.44444
17 2RDQ AKG 4.44444
18 3ORF NAD 4.44444
19 4J36 FAD 5.18518
20 4NMC FAD 5.18518
21 1KOL NAD 5.92593
22 4CYI ATP 5.92593
23 5J75 6GQ 5.92593
24 4GYI ADP 5.92593
25 6FUL E7Z 5.92593
26 5WUW NAP 5.92593
27 1GT4 UNA 6.28931
28 1IYK MIM 6.66667
29 1Q7B NAP 6.66667
30 5OJI NAP 6.66667
31 1EM6 NBG 7.40741
32 1VHD NAP 8.14815
33 4A0S NAP 8.14815
34 2FLI DX5 8.14815
35 3ML1 MGD 8.88889
36 4EU7 CIT 8.88889
37 5XVG 8FX 9.62963
38 4KCF AKM 9.62963
39 2EQA AMP 9.62963
40 4RLT FSE 10.3704
41 5YSS NAD 10.3704
42 5X9D 80F 11.1111
43 5MY8 RXZ 11.8519
44 2Q46 NAP 16.2963
45 5DX9 T6P 23.7037
Pocket No.: 8; Query (leader) PDB : 3EW2; Ligand: BTN; Similar sites found with APoc: 32
This union binding pocket(no: 8) in the query (biounit: 3ew2.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3E8T UQ8 None
2 4U0W 16G None
3 5N0L ILE None
4 2BD0 NAP None
5 1SG4 CO8 1.48148
6 2V2V V12 2.22222
7 1M5W DXP 2.96296
8 3WXB NDP 2.96296
9 1EDO NAP 2.96296
10 5EYK 5U5 3.7037
11 4IE6 UN9 3.7037
12 4C2V YJA 3.7037
13 1PR9 NAP 4.44444
14 6AM8 PLT 4.44444
15 1A27 NAP 4.44444
16 2WA4 069 5.18518
17 4OTH DRN 5.18518
18 4XV1 904 5.18518
19 2VVM PRO 6.66667
20 5OJI ISN 6.66667
21 3GEG NAD 8.14815
22 5W8Q BU4 9.62963
23 3PVW QRX 10.3704
24 5L6G XYP 10.3704
25 2DTX BMA 11.8519
26 3E8N VRA 12.5926
27 3E8N ATP 12.5926
28 2CFC NAD 12.5926
29 5FEU NAP 14.0741
30 5FFF NAP 14.0741
31 5WQP NCA 14.8148
32 4ER2 IVA VAL VAL STA ALA STA 14.8148
APoc FAQ
Feedback