7R3G
PROSS optimitzed variant of RhlR (75 mutations) in complex with the synthetic antagonist mBTL
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B, A | Regulatory protein RhlR | polymer | 241 | 27797.6 | 2 | UniProt (P54292) Pfam (PF03472) Pfam (PF00196) In PDB | Pseudomonas aeruginosa PAO1 | Elastase modulator |
2 | B, A | 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide | non-polymer | 358.3 | 2 | Chemie (K5G) | |||
3 | water | water | 18.0 | 136 | Chemie (HOH) |
Sequence modifications
B, A: 1 - 241 (UniProt: P54292)
PDB | External Database | Details |
---|---|---|
Asp 9 | Leu 9 | engineered mutation |
Glu 12 | Asp 12 | engineered mutation |
Asp 13 | Gly 13 | engineered mutation |
Ser 20 | Pro 20 | engineered mutation |
Thr 22 | His 22 | engineered mutation |
Glu 26 | Gly 26 | engineered mutation |
Cys 46 | Gly 46 | engineered mutation |
Pro 50 | Thr 50 | engineered mutation |
Arg 57 | Lys 57 | engineered mutation |
Ile 58 | Thr 58 | engineered mutation |
Phe 59 | Glu 59 | engineered mutation |
Met 60 | Val 60 | engineered mutation |
Phe 61 | His 61 | engineered mutation |
Asn 63 | Thr 63 | engineered mutation |
Pro 66 | Lys 66 | engineered mutation |
Gln 69 | Leu 69 | engineered mutation |
His 71 | Arg 71 | engineered mutation |
Ala 74 | Met 74 | engineered mutation |
Phe 78 | Gly 78 | engineered mutation |
Ile 80 | Val 80 | engineered mutation |
Thr 83 | Ala 83 | engineered mutation |
Arg 85 | Leu 85 | engineered mutation |
His 86 | Asn 86 | engineered mutation |
Cys 87 | Gly 87 | engineered mutation |
Gly 91 | Ser 91 | engineered mutation |
Asn 92 | Glu 92 | engineered mutation |
His 93 | Met 93 | engineered mutation |
Ile 94 | Val 94 | engineered mutation |
Asp 99 | Ser 99 | engineered mutation |
Ala 102 | Asp 102 | engineered mutation |
Asp 103 | Gln 103 | engineered mutation |
Ala 104 | Ser 104 | engineered mutation |
Gln 105 | Arg 105 | engineered mutation |
Glu 106 | Met 106 | engineered mutation |
Asp 109 | Asn 109 | engineered mutation |
Asp 110 | Glu 110 | engineered mutation |
Tyr 114 | Trp 114 | engineered mutation |
Arg 117 | Cys 117 | engineered mutation |
His 118 | Val 118 | engineered mutation |
His 122 | Leu 122 | engineered mutation |
Ser 123 | Pro 123 | engineered mutation |
Cys 124 | Ile 124 | engineered mutation |
Met 125 | Arg 125 | engineered mutation |
Gly 129 | Asn 129 | engineered mutation |
Val 130 | Leu 130 | engineered mutation |
Met 131 | Leu 131 | engineered mutation |
Gly 132 | Ser 132 | engineered mutation |
Phe 133 | Val 133 | engineered mutation |
Ser 139 | Asp 139 | engineered mutation |
Ser 140 | Gln 140 | engineered mutation |
Pro 141 | Gln 141 | engineered mutation |
Ala 142 | Asn 142 | engineered mutation |
Pro 145 | Ser 145 | engineered mutation |
His 146 | Phe 146 | engineered mutation |
Leu 151 | Ile 151 | engineered mutation |
Met 155 | Leu 155 | engineered mutation |
Leu 158 | Met 158 | engineered mutation |
His 163 | Thr 163 | engineered mutation |
Thr 165 | Lys 165 | engineered mutation |
Glu 168 | Asp 168 | engineered mutation |
Asn 170 | Glu 170 | engineered mutation |
Ser 173 | Met 173 | engineered mutation |
Gln 175 | Met 175 | engineered mutation |
Pro 176 | Ser 176 | engineered mutation |
Gln 177 | Asn 177 | engineered mutation |
Ile 179 | Val 179 | engineered mutation |
Lys 183 | His 183 | engineered mutation |
Arg 190 | Gln 190 | engineered mutation |
Thr 197 | Ser 197 | engineered mutation |
Ala 199 | Gly 199 | engineered mutation |
Lys 203 | Ile 203 | engineered mutation |
Gly 206 | Ser 206 | engineered mutation |
Leu 216 | His 216 | engineered mutation |
Asn 224 | Asp 224 | engineered mutation |
Gln 230 | Leu 230 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 55595.1 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 716.5 | |
All* | Total formula weight | 56311.7 |