NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21320 |
2hgh   |
7194 | cing | 1-original | 4 | DYANA/DIANA | distance | NOE | simple |
# TFIIIA zf46 17 Jul 01 BL # NOEs: 2.7 3.3 5.0 # CROSS-SHEET HN(i)->HN(j): 3.5 # ALPHA HELIX HN(i)->HN(i+1): 3.0 # ALPHA HELIX Ha(i)->HN(i+3): 5.0 ?->4.0 # H-BONDS HN->O: 2.0 N->O: 3.0 #======================================== # Stereospecific Assignments #======================================== #105 TYR HB2 <-> HB3 flipped in upl file CONFIRMED #106 VAL QG1 <-> QG2 flipped in upl file CONFIRMED #107 CYSZ HB2 <-> HB3 flipped in upl file CONFIRMED #112 CYS- HB2 <-> HB3 flipped in upl file HB2=HB3->QB #113 GLY HA2 == HA2 CONFIRMED partially due to overlap #116 PHE HB2 <-> HB3 flipped in upl file ASSUMED but unconfirmed #122 LEU QD1 <-> QD2 flipped in upl file CONFIRMED #122 LEU HB2 <-> HB3 flipped in upl file ASSUMED not confirmed #124 VAL QG1 <-> QG2 flipped in upl file CONFIRMED #125 HIS HB2 == HB2 CONFIRMED this is flipped from free #126 GLN HE21 == HE21 CONFIRMED #129 HIS HB2 == HB2 CONFIRMED #135 TYR HB2 <-> HB3 flipped in upl file #137 CYSZ HB2 <-> HB3 flipped in upl file #142 CYS- HB2 <-> HB3 flipped in upl file #146 PHE HB2 <-> HB3 flipped in upl file #149 PRO HG3 == HG3 #149 PRO HD3 == HD3 #152 LEU HB2 <-> HB3 flipped in upl file #152 LEU QD1 <-> QD2 flipped in upl file ASSUMED but unconfirmed #158 VAL QG1 <-> QG2 PROBABLY flipped according to structures #161 GLY HA2 <-> HA3 PROBABLY flipped according to structures #162 TYR HB2 <-> HB3 flipped in upl file #172 PHE HB2 == HB2 #173 VAL QG1 == QG1 #177 TRP HB2 <-> HB3 flipped in upl file ASSUMED but unconfirmed #181 LEU HB2 == HB2 #181 LEU QD1 == QD1 #183 HIS HB2 <-> HB3 flipped in upl file #======================================== # ZINC FINGER 4 #---------------------------------------- # Beta Sheet # >-Y105-V106-C107-> # <-F116-A115-K114-< #------------------------------anti--para #--Ha(i)->HN(i+1)--------------2.20--2.20 104 MET HA 105 TYR HN 2.70 #STRONG mobilty? 105 TYR HA 106 VAL HN 2.70 #CONFIRMED 106 VAL HA 107 CYSZ HN 2.70 #CONFIRMED 107 CYSZ HA 108 HIS HN 2.70 #CONFIRMED #113 GLY QA 114 LYS+ HN 2.70 #WEAK 114 LYS+ HA 115 ALA HN 2.70 #CONFIRMED 115 ALA HA 116 PHE HN 2.70 #CONFIRMED 116 PHE HA 117 LYS+ HN 2.70 #CONFIRMED #--Ha(i)->Ha(j)--cross-sheet---2.30--4.80 104 MET HA 117 LYS+ HA 3.30 #MEDIUM 106 VAL HA 115 ALA HA 2.70 #CONFIRMED #108 HIS HA 113 GLY QA 2.70 #N.O. #--Ha(i)->HN(j+1)--cross-sheet-3.20--3.00 106 VAL HA 116 PHE HN 3.30 #CONFIRMED #108 HIS HA 114 LYS+ HN 3.30 #N.O. 115 ALA HA 107 CYSZ HN 3.30 #CONFIRMED 117 LYS+ HA 105 TYR HN 5.00 #CONFIRMED relax 8nov3 #--Ha(i)->HN(j-1)--cross-sheet- #106 VAL HA 114 LYS+ HN 5.00 #OVERLAP 112.ha #113 GLY QA 107 CYSZ HN 5.00 #N.O. 115 ALA HA 105 TYR HN 5.00 #CONFIRMED #--HN(i)->HN(j)--cross-sheet---3.30--4.00 105 TYR HN 116 PHE HN 3.50 #CONFIRMED 107 CYSZ HN 114 LYS+ HN 5.00 #MEDIUM-WEAK LOOSEN for 114.hn-112.sg bond #**************************************** #--HBONDS--cross-sheet #**************************************** 105 TYR HN 116 PHE O 2.00 #NEW IN 5S46 105 TYR N 116 PHE O 3.00 107 CYSZ HN 114 LYS+ O 2.00 107 CYSZ N 114 LYS+ O 3.00 #114 LYS+ HN 107 CYSZ O 2.00 #114 LYS+ N 107 CYSZ O 3.00 116 PHE HN 105 TYR O 2.00 116 PHE N 105 TYR O 3.00 #---------------------------------------- # Alpha Helix # >-K118--L122--Q126--T130-> # H119--K123--F127 # N120--V124--S128 # Q121--H125--H129 # Zn #------------------------------alph--3-10 #--HN(i)->HN(i+1)--------------2.80--2.60 119 HIS HN 120 ASN HN 3.00 #MEDIUM-STRONG 120 ASN HN 121 GLN HN 3.00 #MEDIUM 121 GLN HN 122 LEU HN 3.00 #MEDIUM MNS 122 LEU HN 123 LYS+ HN 3.00 #CONFIRMED #123 LYS+ HN 124 VAL HN 3.00 #124.hn too weak MNS 124 VAL HN 125 HIS HN 3.00 #CONFIRMED 125 HIS HN 126 GLN HN 3.00 #CONFIRMED 126 GLN HN 127 PHE HN 3.00 #CONFIRMED 127 PHE HN 128 SER HN 3.00 #CONFIRMED 128 SER HN 129 HIS HN 3.00 #CONFIRMED 129 HIS HN 130 THR HN 3.00 #CONFIRMED 130 THR HN 131 GLN HN 3.00 #CONFIRMED #--HN(i)->HN(i+2)--------------4.20--4.10 119 HIS HN 121 GLN HN 5.00 #CONFIRMED WEAK 120 ASN HN 122 LEU HN 5.00 #CONFIRMED 121 GLN HN 123 LYS+ HN 5.00 #CONFIRMED 122 LEU HN 124 VAL HN 5.00 #CONFIRMED 123 LYS+ HN 125 HIS HN 5.00 #WEAK MNS 124 VAL HN 126 GLN HN 5.00 #CONFIRMED 125 HIS HN 127 PHE HN 5.00 #CONFIRMED 126 GLN HN 128 SER HN 5.00 #CONFIRMED 127 PHE HN 129 HIS HN 5.00 #WEAK MNS 128 SER HN 130 THR HN 5.00 #WEAK MNS 129 HIS HN 131 GLN HN 5.00 #WEAK MNS #--Ha(i)->HN(i+2)--------------4.40--3.80 119 HIS HA 121 GLN HN 5.00 #CONFIRMED 120 ASN HA 122 LEU HN 5.00 #OVERLAP 121.ha #121 GLN HA 123 LYS+ HN 5.00 #OVERLAP 123.ha 122 LEU HA 124 VAL HN 5.00 #CONFIRMED #123 LYS+ HA 125 HIS HN 5.00 #OVERLAP 124.ha #124 VAL HA 126 GLN HN 5.00 #OVERLAP 123.ha #125 HIS HA 127 PHE HN 5.00 #OVERLAP 127.ha #126 GLN HA 128 SER HN 5.00 #OVERLAP 128.hb3 #127 PHE HA 129 HIS HN 5.00 #OVERLAP 129.ha 128 SER HA 130 THR HN 5.00 #CONFIRMED #129 HIS HA 131 GLN HN 5.00 #OVERLAP 127.ha #--Ha(i)->HN(i+3)--------------3.40--3.30 119 HIS HA 122 LEU HN 3.50 #CONFIRMED 120 ASN HA 123 LYS+ HN 3.50 #CONFIRMED #121 GLN HA 124 VAL HN 3.50 #OVERLAP 124.ha 122 LEU HA 125 HIS HN 3.50 #OVERLAP 125.hb2; CONFIRMED non800 123 LYS+ HA 126 GLN HN 3.50 #CONFIRMED #124 VAL HA 127 PHE HN 3.50 #OVERLAP 128.hb2 #125 HIS HA 128 SER HN 3.50 #OVERLAP 127.ha 126 GLN HA 129 HIS HN 3.50 #OVERLAP 128.hb3, but assigned shoulder #127 PHE HA 130 THR HN 3.50 #OVERLAP 129.ha 128 SER HA 131 GLN HN 3.50 #CONFIRMED 3-10 #--Ha(i)->HN(i+4)--------------4.20 119 HIS HA 123 LYS+ HN 5.00 #CONFIRMED 120 ASN HA 124 VAL HN 5.00 #OVERLAP 124.ha #121 GLN HA 125 HIS HN 5.00 #OVERLAP 124.ha 122 LEU HA 126 GLN HN 5.00 #OVERLAP 125.hb2; CONFIRMED non800 123 LYS+ HA 127 PHE HN 5.00 #OVERLAP 124.ha; CONFIRMED non800 #124 VAL HA 128 SER HN 5.00 #OVERLAP 128.hb2 #125 HIS HA 129 HIS HN 5.00 #OVERLAP 129.ha #126 GLN HA 130 THR HN 5.00 #OVERLAP 128.hb3 127 PHE HA 131 GLN HN 5.00 #OVERLAP 129.ha, but a-L C-cap #--Ha(i)->Hb(i+3)--------------2.5-4.4--3.1-5.1 #119 HIS HA 122 LEU HB2 3.30 #OVERLAP WEAK #119 HIS HA 122 LEU HB3 3.30 #OVERLAP WEAK #120 ASN HA 123 LYS+ QB 3.30 #N.O. 121 GLN HA 124 VAL HB 3.30 #CONFIRMED 122 LEU HA 125 HIS HB3 3.30 #CONFIRMED 122 LEU HA 125 HIS HB2 5.00 #WEAK 123 LYS+ HA 126 GLN HB2 5.00 #CONFIRMED 123 LYS+ HA 126 GLN HB3 3.30 #CONFIRMED #124 VAL HA 127 PHE HB2 5.00 #VERY WEAK #124 VAL HA 127 PHE HB3 5.00 #VERY WEAK #125 HIS HA 128 SER HB2 5.00 #VERY WEAK #126 GLN HA 129 HIS HB2 5.00 #VERY WEAK #126 GLN HA 129 HIS HB3 5.00 #OVERLAP #127 PHE HA 130 THR HB 5.00 #OVERLAP see 130.qg2 #128 SER HA 131 GLN HB2 5.00 #N.O. #128 SER HA 131 GLN HB3 5.00 #N.O. #129 HIS HA 132 GLN HB2 5.00 #N.O. #129 HIS HA 132 GLN HB3 5.00 #N.O. #**************************************** #--HBONDS--alpha-helix #**************************************** #122 LEU HN 118 LYS+ O 2.00 #119.ha to 123.hn rm 24nov3 #122 LEU N 118 LYS+ O 3.00 #119.ha to 123.hn rm 24nov3 123 LYS+ HN 119 HIS O 2.00 123 LYS+ N 119 HIS O 3.00 124 VAL HN 120 ASN O 2.00 124 VAL N 120 ASN O 3.00 125 HIS HN 121 GLN O 2.00 125 HIS N 121 GLN O 3.00 126 GLN HN 122 LEU O 2.00 126 GLN N 122 LEU O 3.00 #127 PHE HN 123 LYS+ O 2.00 #3-10 #127 PHE N 123 LYS+ O 3.00 #3-10 #128 SER HN 124 VAL O 2.00 #3-10 #128 SER N 124 VAL O 3.00 #3-10 #129 HIS HN 125 HIS O 2.00 #3-10 #129 HIS N 125 HIS O 3.00 #3-10 #130 THR HN 126 GLN O 2.00 #NO #130 THR N 126 GLN O 3.00 #NO #131 GLN HN 127 PHE O 2.00 #NO #131 GLN N 127 PHE O 3.00 #NO
Contact the webmaster for help, if required. Friday, May 10, 2024 5:14:25 PM GMT (wattos1)