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Receptor
PDB id Resolution Class Description Source Keywords
4H6B 1.35 Å EC: 5.3.99.6 STRUCTURAL BASIS FOR ALLENE OXIDE CYCLIZATION IN MOSS PHYSCOMITRELLA PATENS B-BARREL OXYLIPINS FATTY ACID METABOLITES ALLENE-OXIDE CACTIVITY ISOMERASE
Ref.: CRYSTAL STRUCTURES OF PHYSCOMITRELLA PATENS AOC1 AN INSIGHTS INTO THE ENZYME MECHANISM AND DIFFERENCES SUBSTRATE SPECIFICITY. PLANT PHYSIOL. V. 160 1251 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
10X A:201;
B:301;
J:203;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
294.429 C18 H30 O3 CC/C=...
10Y A:202;
G:203;
Valid;
Valid;
none;
none;
submit data
294.429 C18 H30 O3 CC/C=...
HEZ B:304;
C:202;
D:201;
E:201;
F:301;
F:304;
F:305;
H:203;
I:201;
K:201;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C(CCC...
PO4 A:203;
A:204;
B:302;
B:303;
C:201;
D:202;
D:203;
E:202;
E:203;
F:302;
F:303;
G:201;
G:202;
H:201;
H:202;
I:202;
I:203;
J:201;
J:202;
K:202;
K:203;
L:201;
L:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H6B 1.35 Å EC: 5.3.99.6 STRUCTURAL BASIS FOR ALLENE OXIDE CYCLIZATION IN MOSS PHYSCOMITRELLA PATENS B-BARREL OXYLIPINS FATTY ACID METABOLITES ALLENE-OXIDE CACTIVITY ISOMERASE
Ref.: CRYSTAL STRUCTURES OF PHYSCOMITRELLA PATENS AOC1 AN INSIGHTS INTO THE ENZYME MECHANISM AND DIFFERENCES SUBSTRATE SPECIFICITY. PLANT PHYSIOL. V. 160 1251 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4H6B - 10Y C18 H30 O3 CC/C=CC[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4H69 - 10Y C18 H30 O3 CC/C=CC[C@....
2 4H6B - 10Y C18 H30 O3 CC/C=CC[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4H69 - 10Y C18 H30 O3 CC/C=CC[C@....
2 4H6B - 10Y C18 H30 O3 CC/C=CC[C@....
3 2DIO - EOD C18 H34 O3 CCCCC[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 10X; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 10Y 1 1
2 10X 1 1
3 T25 0.684211 0.935484
4 LNL 0.574074 0.724138
5 MYZ 0.54 0.612903
6 ELA 0.529412 0.645161
7 PAM 0.529412 0.645161
8 NER 0.529412 0.645161
9 VCA 0.529412 0.645161
10 OLA 0.529412 0.645161
11 EIC 0.509091 0.677419
12 ODT 0.473684 0.689655
13 ODD 0.446429 0.677419
14 RCL 0.4375 0.6875
15 EOD 0.431034 0.903226
16 T24 0.411765 0.766667
Ligand no: 2; Ligand: 10Y; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 10Y 1 1
2 10X 1 1
3 T25 0.684211 0.935484
4 LNL 0.574074 0.724138
5 MYZ 0.54 0.612903
6 ELA 0.529412 0.645161
7 PAM 0.529412 0.645161
8 NER 0.529412 0.645161
9 VCA 0.529412 0.645161
10 OLA 0.529412 0.645161
11 EIC 0.509091 0.677419
12 ODT 0.473684 0.689655
13 ODD 0.446429 0.677419
14 RCL 0.4375 0.6875
15 EOD 0.431034 0.903226
16 T24 0.411765 0.766667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H6B; Ligand: 10X; Similar sites found with APoc: 194
This union binding pocket(no: 1) in the query (biounit: 4h6b.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4O9S 2RY None
2 2NNQ T4B None
3 2YJ0 420 None
4 2BOS GLA GAL None
5 2ZMF CMP None
6 5HCA BGC 1.53846
7 1Q23 FUA 2.05128
8 1LNM DTX 2.17391
9 1QIN GIP 2.18579
10 2P7Q GG6 2.25564
11 4Q0P 0MK 2.5641
12 5HV0 AKG 2.5641
13 5XWV 8H6 2.5641
14 2HSA FMN 2.5641
15 4GLW 0XT 2.5641
16 2OJW ADP 2.5641
17 4QA8 PJZ 2.5641
18 5Y72 DST 2.68657
19 3A76 SPD 2.84091
20 1QFT HSM 2.85714
21 1W6O LAT 2.98507
22 4B1L FRU 3.0303
23 2R0H CTO 3.04878
24 1FDQ HXA 3.05344
25 5HCY 60D 3.07692
26 2WLG SOP 3.07692
27 1ZHX HC3 3.07692
28 3O03 GCO 3.07692
29 4FFG 0U8 3.07692
30 3MHA Z69 3.07692
31 4D1J DGJ 3.07692
32 2A1L PCW 3.07692
33 3NZ1 3NY 3.07692
34 3AVR OGA 3.07692
35 5TUF TDC 3.07692
36 5TUF FAD 3.07692
37 2DW7 SRT 3.07692
38 4JD3 COA 3.07692
39 1LN1 DLP 3.07692
40 5W10 CMP 3.07692
41 5IXH OTP 3.10559
42 5H9Q TD2 3.22581
43 5ENQ 5QE 3.5503
44 5H5A 6OU 3.58974
45 2WR1 SIA GAL NAG 3.58974
46 3PGU OLA 3.58974
47 2ET1 GLV 3.58974
48 1VKF CIT 3.7234
49 3R96 ACO 3.7234
50 3R96 AMP 3.7234
51 4Z28 BTN 3.73134
52 3SAO NKN 3.75
53 4OJ8 AKG 3.75427
54 4MNS 2AX 3.77358
55 5ML3 DL3 4.02685
56 5VGS 9A7 4.10256
57 5VGS 9A4 4.10256
58 5NBW 8SK 4.10256
59 1DY4 SNP 4.10256
60 6B9T 2HE 4.10256
61 3ZDS OMD 4.10256
62 3OJI PYV 4.2328
63 3N0Y APC 4.46927
64 2IFB PLM 4.58015
65 5AE9 OKO 4.61538
66 2YMZ LAT 4.61538
67 4LOO SB4 4.61538
68 5F3I 5UJ 4.61538
69 3RFA SAM 4.61538
70 1XKD ICT 4.61538
71 3MTX PGT 4.63576
72 1ZB6 GST 5.12821
73 1ZB6 DIN 5.12821
74 6G0X RAM GLC GLA NAG NDG NAG 5.12821
75 2ABS ACP 5.12821
76 5DQ8 FLF 5.12821
77 1REQ DCA 5.12821
78 1MJJ HAL 5.12821
79 6GNO XDI 5.18518
80 2HKA C3S 5.38462
81 5BU3 4W9 5.43478
82 5NIU 8YZ 5.46875
83 1WUB OTP 5.61798
84 5KD6 6C7 5.64103
85 6C1S EFV 5.64103
86 2X34 UQ8 5.64103
87 5DEY 59T 5.64103
88 1JGT CMA 5.64103
89 1JGT APC 5.64103
90 2TPS TPS 5.64103
91 3FP0 FP0 5.64103
92 5N2F 8HW 5.64516
93 1GT4 UNA 5.66038
94 3VHH VHH 5.69106
95 5T7I LAT NAG GAL 5.80645
96 4XIZ LPP 5.88235
97 5IXG OTP 5.91716
98 3X00 ZOF EDN ZOF 6.12245
99 3X00 ZOF ZOF EDN 6.12245
100 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 6.12245
101 4CCK OGA 6.15385
102 3B1Q NOS 6.15385
103 3VQ2 LP4 LP5 MYR DAO 6.15385
104 3ACT BGC 6.15385
105 1GQG DCD 6.15385
106 3WG3 A2G GAL NAG FUC 6.17978
107 1QY1 PRZ 6.32184
108 5EW9 5VC 6.66667
109 4LIT AKG 6.66667
110 2E3N 6CM 6.66667
111 5HZ9 5M8 6.66667
112 2GVJ DGB 6.66667
113 1A78 TDG 6.71642
114 5FUI APY 6.81818
115 1WW5 SGA BGC 6.875
116 4BX7 B4F 7.03125
117 1SWG BTN 7.03125
118 1N5S ADL 7.14286
119 5NG7 SER 7.17949
120 5KJW 53C 7.17949
121 6E08 NAP 7.17949
122 4QIJ 1HA 7.17949
123 4YLZ LAT NAG GAL 7.18954
124 3E85 BSU 7.59494
125 4AUT FAD 7.69231
126 3ZNN 4WL 7.69231
127 3ZNN FAD 7.69231
128 2I6A 5I5 7.69231
129 1EWF PC1 7.69231
130 4CQE CQE 7.69231
131 1OJJ GLC GAL 7.69231
132 1OJK GLC BGC 7.69231
133 5EZU MYR 7.86517
134 1ERB ETR 8.19672
135 2C49 ADN 8.20513
136 4TWP AXI 8.20513
137 2VFT SOR 8.20513
138 1GP6 QUE 8.71795
139 2DKH 3HB 8.71795
140 5A7V BMA 8.71795
141 5A7V MAN 8.71795
142 4R3U 3HC 8.86076
143 4R3U 3KK 8.86076
144 3EW2 BTN 8.88889
145 5NFB 8VT 9.09091
146 2YKL NLD 9.23077
147 5J75 6GQ 9.23077
148 1WBI BTN 9.30233
149 4ZSI GLP 9.35672
150 4JH6 FCN 9.42029
151 1Y52 BTN 9.52381
152 4GGZ BTN 9.56522
153 4BCS BTN 9.6
154 2X32 OTP 9.74359
155 6HDT BTN 9.77444
156 5U98 1KX 10.101
157 5H9P TD2 10.1266
158 5HA0 LTD 10.2564
159 5W4W 9WG 10.2564
160 5JSP DQY 10.2564
161 1YKJ PHB 10.2564
162 1YKJ FAD 10.2564
163 4KBA 1QM 10.2564
164 2REG CHT 10.2564
165 5K21 6QF 10.6383
166 2OVW CBI 10.7692
167 4J25 OGA 10.917
168 4ONA UW1 11.2821
169 4Z87 GDP 11.2821
170 5FU3 BGC BGC BGC 11.3208
171 1Y0G 8PP 11.5183
172 5ODY 9SK 11.5942
173 4UDK NDG 11.7949
174 2CM4 RCL 12.6667
175 1GZW GAL BGC 12.6866
176 3E7O 35F 12.8205
177 2B3B GLC 12.8205
178 3VV1 GAL FUC 13.125
179 1U0A BGC BGC BGC BGC 13.3333
180 3WV6 GAL BGC 13.3333
181 3L9R L9Q 13.8462
182 4F7E 0SH 13.8462
183 3G08 FEE 14.359
184 5A5W GUO 14.359
185 3QUZ QUV 14.359
186 4MA6 28E 14.6497
187 5WL1 CUY 15.8974
188 5WL1 D3D 15.8974
189 1KJ1 MAN 16.5138
190 4X6F 3XU 17.4359
191 3RUG DB6 17.4359
192 2XIQ MLC 17.4359
193 3EM0 CHD 18.1159
194 6GWR FEW 21.0256
Pocket No.: 2; Query (leader) PDB : 4H6B; Ligand: 10X; Similar sites found with APoc: 62
This union binding pocket(no: 2) in the query (biounit: 4h6b.bio4) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4OIT BMA None
2 4OIT MAN None
3 5C3R HMU 2.05128
4 5C3R AKG 2.05128
5 3RGA LSB 2.05128
6 3AMN CBI 2.5641
7 3AMN CBK 2.5641
8 4B1M FRU FRU 2.7027
9 2OVD DAO 2.74725
10 4HIA FMN 2.84091
11 2WT2 GAL NAG GAL NAG GAL NAG 3.07692
12 3PG7 PTY 3.07692
13 3WDX BGC BGC GLC 3.07692
14 5YBN AKG 3.07692
15 4BPZ GLC BGC BGC 3.07692
16 1UNB AKG 3.58974
17 1UNB PN1 3.58974
18 4Q9M 2ZW 3.58974
19 2WA4 069 3.58974
20 1XRO LEU 3.58974
21 4XCB HY0 3.58974
22 4OJ8 2TQ 3.75427
23 1MDC PLM 3.78788
24 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 4.0404
25 3E8T UQ8 4.10256
26 5NBP BGC BGC BGC 4.10256
27 2WYA HMG 4.10256
28 1XNK XS2 4.10256
29 2HZQ STR 4.5977
30 5D48 L96 4.60526
31 2XMY CDK 4.61538
32 6EZ6 C5Z 4.61538
33 1MH5 HAL 5.12821
34 4P42 PEE 5.12821
35 1UU6 BGC BGC BGC BGC 5.12821
36 4GN8 ASO 5.12821
37 4J7Q B7N 5.12821
38 3JRS A8S 5.28846
39 5KD6 LBU 5.64103
40 2OO0 XAP 6.15385
41 3M3E GAL A2G NPO 6.21118
42 3WUD GLC GAL 6.61765
43 4O12 2QG 6.66667
44 4CRL C1I 6.66667
45 2VVM PRO 7.17949
46 3NV3 GAL NAG MAN 7.97101
47 3Q8G PEE 8.20513
48 3B00 16A 8.20513
49 4H2V AMP 9.09091
50 2JIG PD2 9.23077
51 3BRN SRO 9.55414
52 2VPN 4CS 10.2564
53 4KBS PX2 11.2821
54 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 11.2821
55 4PSB GA3 11.6129
56 6EXF LYS 13.8462
57 1EZV SMA 14.9606
58 3SCM LGN 17.4359
59 5FI4 5XV 17.4359
60 5DXT 5H5 17.4359
61 4CCN OGA 20
62 4WO4 JLS 22.0513
Pocket No.: 3; Query (leader) PDB : 4H6B; Ligand: 10Y; Similar sites found with APoc: 199
This union binding pocket(no: 3) in the query (biounit: 4h6b.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1IIU RTL None
2 4O9S 2RY None
3 2NNQ T4B None
4 2BOS GLA GAL None
5 5HCA BGC 1.53846
6 6BYM HC3 1.53846
7 1Q23 FUA 2.05128
8 5C3R AKG 2.05128
9 5C3R HMU 2.05128
10 1LNM DTX 2.17391
11 2P7Q GG6 2.25564
12 5XWV 8H6 2.5641
13 6CC0 EWM 2.5641
14 4QA8 PJZ 2.5641
15 5HV0 AKG 2.5641
16 2HSA FMN 2.5641
17 3AMN CBI 2.5641
18 3AMN CBK 2.5641
19 3WSJ MK1 2.58621
20 5Y72 DST 2.68657
21 2OVD DAO 2.74725
22 3A76 SPD 2.84091
23 4B1L FRU 3.0303
24 2R0H CTO 3.04878
25 1ZHX HC3 3.07692
26 2WT2 GAL NAG GAL NAG GAL NAG 3.07692
27 3O03 GCO 3.07692
28 3GM5 CIT 3.07692
29 4D1J DGJ 3.07692
30 6FUL E7Z 3.07692
31 3AVR OGA 3.07692
32 2A1L PCW 3.07692
33 6D61 4AA 3.07692
34 5YBN AKG 3.07692
35 3WDX BGC BGC GLC 3.07692
36 2DW7 SRT 3.07692
37 5IXH OTP 3.10559
38 5H9Q TD2 3.22581
39 3E2M E2M 3.24324
40 5H5A 6OU 3.58974
41 4RFR RHN 3.58974
42 3PGU OLA 3.58974
43 5UL5 PLM 3.58974
44 5UL5 8D7 3.58974
45 2OBD 2OB 3.58974
46 4CNO 9PY 3.58974
47 1EBL COA 3.58974
48 4Z28 BTN 3.73134
49 3SAO NKN 3.75
50 4OJ8 2TQ 3.75427
51 3ZXE PGZ 3.7594
52 4MNS 2AX 3.77358
53 5ML3 DL3 4.02685
54 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 4.0404
55 5VGS 9A7 4.10256
56 5VGS 9A4 4.10256
57 5NBW 8SK 4.10256
58 1OFD FMN 4.10256
59 6B9T 2HE 4.10256
60 5NBP BGC BGC BGC 4.10256
61 1IID NHM 4.10256
62 3OJI PYV 4.2328
63 3N0Y APC 4.46927
64 2HZQ STR 4.5977
65 2XMY CDK 4.61538
66 2YMZ LAT 4.61538
67 6GN6 MAL 4.61538
68 5YU3 NAD 4.61538
69 3RFA SAM 4.61538
70 5YU3 PRO 4.61538
71 1XKD ICT 4.61538
72 1ZB6 GST 5.12821
73 1ZB6 DIN 5.12821
74 4P42 PEE 5.12821
75 1MJJ HAL 5.12821
76 1MH5 HAL 5.12821
77 5IVE 6E8 5.12821
78 2ABS ACP 5.12821
79 4GN8 ASO 5.12821
80 1UU6 BGC BGC BGC BGC 5.12821
81 2IGA XX3 5.12821
82 1REQ DCA 5.12821
83 2IGA XX2 5.12821
84 1Y7P RIP 5.12821
85 4J7Q B7N 5.12821
86 5DQ8 FLF 5.12821
87 2HKA C3S 5.38462
88 5BU3 4W9 5.43478
89 3STD MQ0 5.45455
90 5NIU 8YZ 5.46875
91 2C1Q BTN 5.55556
92 1WUB OTP 5.61798
93 2X34 UQ8 5.64103
94 6C1S EFV 5.64103
95 3FP0 FP0 5.64103
96 4LA7 A1O 5.64103
97 5GLT BGC GAL NAG GAL 5.64103
98 5UAV NDP 5.64103
99 5UAV TFB 5.64103
100 5KD6 6C7 5.64103
101 5FP3 3JI 5.64103
102 5N2F 8HW 5.64516
103 2WPU KYT 5.66038
104 1GT4 UNA 5.66038
105 5T7I LAT NAG GAL 5.80645
106 2YG2 S1P 5.81395
107 5IXG OTP 5.91716
108 1SLT NDG GAL 5.97015
109 1OPB RET 5.97015
110 4QYN RTL 6.01504
111 3X00 ZOF EDN ZOF 6.12245
112 3X00 ZOF ZOF EDN 6.12245
113 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 6.12245
114 1ZM1 BGC BGC BGC 6.15385
115 3B1Q NOS 6.15385
116 3ACT BGC 6.15385
117 3KFF ZBT 6.17284
118 3KFF XBT 6.17284
119 3WG3 A2G GAL NAG FUC 6.17978
120 3M3E GAL A2G NPO 6.21118
121 1QY1 PRZ 6.32184
122 5OO5 UUA 6.45161
123 3WUD GLC GAL 6.61765
124 4O12 2QG 6.66667
125 5HZ9 5M8 6.66667
126 3AGC RCC 6.66667
127 4LIT AKG 6.66667
128 5FBN 5WF 6.66667
129 2GVJ DGB 6.66667
130 4ER2 IVA VAL VAL STA ALA STA 6.66667
131 1A78 TDG 6.71642
132 1WW5 SGA BGC 6.875
133 1SWG BTN 7.03125
134 4BX7 B4F 7.03125
135 2F01 BTQ 7.08661
136 2F01 BTN 7.08661
137 1N5S ADL 7.14286
138 5NG7 SER 7.17949
139 4QIJ 1HA 7.17949
140 6E08 NAP 7.17949
141 4YLZ LAT NAG GAL 7.18954
142 2I6A 5I5 7.69231
143 1EWF PC1 7.69231
144 1OJJ GLC GAL 7.69231
145 3SCH TB6 7.69231
146 3W21 AKG 7.69231
147 1OJK GLC BGC 7.69231
148 4WVO 3UZ 7.73481
149 5LXB 7A9 7.85124
150 3NV3 GAL NAG MAN 7.97101
151 1ERB ETR 8.19672
152 6FOF LAT 8.20513
153 1GP6 DH2 8.71795
154 1GP6 SIN 8.71795
155 2DKH 3HB 8.71795
156 5BNS 4VM 8.71795
157 5A7V MAN 8.71795
158 4R3U 3KK 8.86076
159 4R3U 3HC 8.86076
160 3EW2 BTN 8.88889
161 5NFB 8VT 9.09091
162 2YKL NLD 9.23077
163 2JIG PD2 9.23077
164 5J75 6GQ 9.23077
165 1WBI BTN 9.30233
166 4ZSI 4R1 9.35672
167 1Y52 BTN 9.52381
168 3BRN SRO 9.55414
169 4BCS BTN 9.6
170 2X32 OTP 9.74359
171 6HDT BTN 9.77444
172 5H9P TD2 10.1266
173 5HA0 LTD 10.2564
174 1YKJ FAD 10.2564
175 1YKJ PHB 10.2564
176 5JSP DQY 10.2564
177 2REG CHT 10.2564
178 4QMN DB8 10.2564
179 5K21 6QF 10.6383
180 2OVW CBI 10.7692
181 5Y02 MXN 11.215
182 5FU3 BGC BGC BGC 11.3208
183 1Y0G 8PP 11.5183
184 4PSB GA3 11.6129
185 4UDK NDG 11.7949
186 5L2R MLA 12.3077
187 2CM4 RCL 12.6667
188 3VV1 GAL FUC 13.125
189 1U0A BGC BGC BGC BGC 13.3333
190 2IFW ACE PHE LYS PHE PSA LEU AAR 13.3333
191 3WV6 GAL BGC 13.3333
192 6EXF LYS 13.8462
193 5OX6 A1Z 13.8462
194 5FKP 6UL 14.359
195 4MA6 28E 14.6497
196 1KJ1 MAN 16.5138
197 3RUG DB6 17.4359
198 5FI4 5XV 17.4359
199 4WO4 JLS 22.0513
Pocket No.: 4; Query (leader) PDB : 4H6B; Ligand: 10Y; Similar sites found with APoc: 74
This union binding pocket(no: 4) in the query (biounit: 4h6b.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6F4T OGA None
2 2YAK OSV 2.5641
3 1I82 BGC BGC 2.6455
4 1QFT HSM 2.85714
5 1FDQ HXA 3.05344
6 4OPC PGT 3.07692
7 4EE7 PIS 3.07692
8 2WLG SOP 3.07692
9 3MHA Z69 3.07692
10 4JD3 COA 3.07692
11 4JD3 PLM 3.07692
12 4IMG NGF 3.07692
13 4FFG 0U8 3.07692
14 1VA6 ADP 3.58974
15 4OMJ 2TX 3.58974
16 5W7R 9Z7 3.58974
17 1UNB AKG 3.58974
18 1UNB PN1 3.58974
19 3E8T UQ8 4.10256
20 2RFZ CTR 4.10256
21 3ZDS OMD 4.10256
22 1TFZ 869 4.10256
23 4FHD EEM 4.10256
24 4FHD 0TT 4.10256
25 1OFD AKG 4.10256
26 5D48 L96 4.60526
27 5AE9 OKO 4.61538
28 6EZ6 C5Z 4.61538
29 1TKK ALA GLU 4.61538
30 4QM9 CYS 4.62428
31 5A3T MMK 5.12821
32 4TMC HBA 5.12821
33 6HTO 5AD 5.12821
34 6HTO MET 5.12821
35 3JRS A8S 5.28846
36 2TPS TPS 5.64103
37 6F6D AKG 5.64103
38 4C2V YJA 5.64103
39 2YG2 FLC 5.81395
40 4XIZ LPP 5.88235
41 3RDO BTN 5.88235
42 4CCK OGA 6.15385
43 5F2T PLM 6.15385
44 3VQ2 LP4 LP5 MYR DAO 6.15385
45 5X7Q GLC GLC GLC GLC 6.15385
46 1T27 PCW 6.66667
47 5OCQ 9RN G4S 9RN G4S 6.66667
48 2E3N 6CM 6.66667
49 5TBM 79A 6.95652
50 2HW2 RFP 6.99301
51 2Z77 HE7 7.19424
52 5UR6 8KM 7.73481
53 2VFT SOR 8.20513
54 3B99 U51 8.20513
55 5A7V BMA 8.71795
56 4M1U A2G MBG 9.23077
57 4GGZ BTN 9.56522
58 5KEW 6SB 9.57447
59 2PUL ACP 9.74359
60 4KBA 1QM 10.2564
61 2OFV 242 10.2564
62 5FXD H7Y 10.7692
63 4J25 OGA 10.917
64 4KBS PX2 11.2821
65 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 11.2821
66 4WN5 MVC 11.3043
67 5ODY 9SK 11.5942
68 1XDN ATP 11.7949
69 1QD1 FON 13.8462
70 4F7E 0SH 13.8462
71 3G08 FEE 14.359
72 2ZHL NAG GAL GAL NAG 16.2162
73 5DXT 5H5 17.4359
74 2XIQ MLC 17.4359
Pocket No.: 5; Query (leader) PDB : 4H6B; Ligand: 10X; Similar sites found with APoc: 27
This union binding pocket(no: 5) in the query (biounit: 4h6b.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1IIU RTL None
2 5LJB RTL None
3 5KBE IPH 2.05128
4 5V3D FCN 2.06897
5 6CC0 EWM 2.5641
6 1NX4 AKG 2.5641
7 1I82 BGC BGC 2.6455
8 3GM5 CIT 3.07692
9 1OFZ FUC 3.07692
10 6FUL E7Z 3.07692
11 4QM9 CYS 4.62428
12 6F6D AKG 5.64103
13 2WPU KYT 5.66038
14 2YG2 S1P 5.81395
15 5F2T PLM 6.15385
16 3KFF ZBT 6.17284
17 3KFF XBT 6.17284
18 1LFO OLA 6.25
19 2ZSC BTN 7.0922
20 6FOF LAT 8.20513
21 4M1U A2G MBG 9.23077
22 4WHZ 3NL 9.74359
23 4QMN DB8 10.2564
24 4Y24 TD2 11.039
25 5FKP 6UL 14.359
26 2XXP DSL 16.4103
27 3HUJ AGH 22.0513
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