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4HP2

Invariom refinement of a new dimeric monoclinic 2 solvate of thiostrepton at 0.64 angstrom resolution

Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE QUA A 1
ChainResidue
AILE2
ABB914
AHOH201
BQUA1
BBB97
AALA3
ADHA4
AALA5
ASER6
ABB97
ATHR8
ATS911
ATHR13

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NH2 A 19
ChainResidue
ADHA18
AETZ103
AETZ104
AETZ107
BETZ106

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE QUA B 1
ChainResidue
AQUA1
ABB97
AHOH202
BILE2
BALA3
BDHA4
BALA5
BSER6
BBB97
BTHR8
BTS911
BTHR13
BBB914

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE NH2 B 19
ChainResidue
ADMF102
AETZ103
BDCY10
BBB912
BDHA18
BDMF104
BETZ106

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMF A 101
ChainResidue
AALA3
ADHA4
BALA3
BDHA4

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE DMF A 102
ChainResidue
AALA5
ASER6
ABB912
ATHR13
ABB914
ABB916
ADHA18
AETZ106
BDCY10
BDHA18
BNH219
BDMF105
BETZ106

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ETZ A 103
ChainResidue
ANH219
AETZ107
BDCY10
BBB912
BBB914
BDHA18
BNH219
BETZ106

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ETZ A 104
ChainResidue
ATHR8
ABB912
ABB914
ADHA18
ANH219
AETZ107
BETZ106

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ETZ A 105
ChainResidue
AALA5
ABB916

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ETZ A 106
ChainResidue
ABB912
ADMF102
BDMF103
BDMF105

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ETZ A 107
ChainResidue
ADBU9
ADCY10
ADHA18
ANH219
AETZ103
AETZ104
ADMF108
BDHA18

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMF A 108
ChainResidue
ADHA18
AETZ107
BDHA18
BDMF101

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMF B 101
ChainResidue
ADMF108
BDHA17
BDHA18
BDMF102
BDMF104

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMF B 102
ChainResidue
ADHA17
BALA5
BDHA17
BDHA18
BDMF101
BDMF104

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMF B 103
ChainResidue
ABB916
AETZ106
BSER6
BBB914
BDMF105

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMF B 104
ChainResidue
BDCY10
BDHA17
BDHA18
BNH219
BDMF101
BDMF102

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMF B 105
ChainResidue
ABB912
ABB916
ADMF102
AETZ106
BBB914
BMH615
BDMF103

site_idBC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ETZ B 106
ChainResidue
ANH219
ADMF102
AETZ103
AETZ104
BTHR8
BDBU9
BDCY10
BBB912
BNH219

site_idCC1
Number of Residues28
DetailsBINDING SITE FOR CHAIN A OF THIOSTREPTON
ChainResidue
AQUA1
ANH219
ADMF101
ADMF102
ADMF102
AETZ104
AETZ104
AETZ105
AETZ106
AETZ107
AETZ107
ADMF108
AHOH201
AHOH202
BQUA1
BILE2
BALA3
BTS911
BBB912
BTHR13
BMH615
BBB916
BDHA17
BDHA18
BNH219
BDMF102
BDMF103
BDMF105

site_idCC2
Number of Residues29
DetailsBINDING SITE FOR CHAIN B OF THIOSTREPTON
ChainResidue
AQUA1
AILE2
ATS911
ABB912
ATHR13
AMH615
ABB916
ADHA17
ADHA18
ANH219
ADMF101
ADMF102
ADMF102
AETZ103
AETZ103
AETZ107
ADMF108
AHOH201
AHOH202
BQUA1
BNH219
BNH219
BDMF101
BDMF102
BDMF103
BDMF104
BDMF104
BDMF105
BETZ106

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsMOD_RES: 2,3-didehydroalanine (Ser) => ECO:0000269|PubMed:6885635
ChainResidueDetails
ADHA4
ADHA17
BDHA4
BDHA17

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: (Z)-2,3-didehydrobutyrine => ECO:0000269|PubMed:6885635
ChainResidueDetails
ADBU9
BDBU9

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: (3S,4R)-3,4-dihydroxyisoleucine => ECO:0000269|PubMed:19338336
ChainResidueDetails
ATS911
BTS911

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Serine amide => ECO:0000269|PubMed:6885635
ChainResidueDetails
ADHA18
BDHA18

site_idSWS_FT_FI5
Number of Residues2
DetailsCROSSLNK: 4-(1-hydroxyethyl)-7-isoleucino-2-(threonin-O3-ylcarbonyl)-7,8-dihydroquinolin-8-ol (Ile-Thr)
ChainResidueDetails
AILE2
BILE2

site_idSWS_FT_FI6
Number of Residues4
DetailsCROSSLNK: Thiazole-4-carboxylic acid (Thr-Cys)
ChainResidueDetails
ATHR13
ABB914
BTHR13
BBB914

site_idSWS_FT_FI7
Number of Residues8
DetailsCROSSLNK: Thiazole-4-carboxylic acid (Ser-Cys)
ChainResidueDetails
ASER6
AMH615
ABB97
ABB916
BSER6
BMH615
BBB97
BBB916

site_idSWS_FT_FI8
Number of Residues4
DetailsCROSSLNK: (4S)-thiazoline-4-carboxylic acid (Thr-Cys)
ChainResidueDetails
ADBU9
ADCY10
BDBU9
BDCY10

site_idSWS_FT_FI9
Number of Residues4
DetailsCROSSLNK: Thiazole-4-carboxylic acid (Ile-Cys)
ChainResidueDetails
ATS911
ABB912
BTS911
BBB912

217705

PDB entries from 2024-03-27

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