7mfc

Crystal structure of CSF1R in complex with vimseltinib

Method: X-RAY DIFFRACTION D_max: 62.9 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Macrophage colony-stimulating factor 1 receptor

Homo sapiens

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 542–919	片段：Kinase domain, UNP residues 542-919 with deletion of 696-741 突变：C677T, C830S, C907T	Z6V Vimseltinib × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.5；289 K；CSF1R at 4mg/ml with 0.5mM vimseltinib: Crystallization: 100mM Tris base / HCl pH 7.71, 18% PEG 8000, 100mM MgCl2: Cryo: 20% glycerol	分辨率 2.80 Å R-free 0.256

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 7MFC	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
2I0V c-FMS tyrosine kinase in complex with a quinolone inhibitor 提交 2006-08-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：Kinase Domain 链 A 753–922（170 aa）片段：Kinase Domain	未记录	SO4 SULFATE ION × 1 6C3 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；PEG 3350, sodium acetate, Li2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.80 Å R-free 0.296
2I0Y cFMS tyrosine kinase (FGF KID) in complex with an arylamide inhibitor 提交 2006-08-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：Kinase Domain 链 A 753–922（170 aa）片段：Kinase Domain	未记录	5CN 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；PEG 3350, sodium acetate, Li2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.90 Å R-free 0.263
2I1M cFMS tyrosine kinase (tie2 KID) in complex with an arylamide inhibitor 提交 2006-08-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：Kinase Domain 链 A 753–922（170 aa）片段：Kinase Domain	未记录	5CN 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；PEG 3350, sodium acetate, Li2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.80 Å R-free 0.282
2OGV Crystal Structure of the Autoinhibited Human c-Fms Kinase Domain 提交 2007-01-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 543–681（139 aa）片段：Kinase domain: Residues 543-918 链 A 741–918（178 aa）片段：Kinase domain: Residues 543-918	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；30% PEG 8000, 0.2M Ammonium sulfate, 0.1M MES pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.279
3BEA cFMS tyrosine kinase (tie2 KID) in complex with a pyrimidinopyridone inhibitor 提交 2007-11-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）链 A 753–922（170 aa）	突变：A695L 突变：A695L	SO4 SULFATE ION × 3 IXH 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；PEG 3350, sodium acetate, Li2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.02 Å R-free 0.230
3DPK cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor 提交 2008-07-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：KINASE DOMAIN 链 A 753–922（170 aa）片段：KINASE DOMAIN	突变：Native kinase insert domain replaced by FGF receptor kinase insert domain 突变：Native kinase insert domain replaced by FGF receptor kinase insert domain	SO4 SULFATE ION × 3 8C5 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；PEG 3350, SODIUM ACETATE, LI2SO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 1.95 Å R-free 0.244
3KRJ cFMS tyrosine kinase in complex with 4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide 提交 2009-11-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：UNP residues 538-678, 753-922 链 A 753–922（170 aa）片段：UNP residues 538-678, 753-922	突变：C584S 突变：C584S	ACT ACETATE ION × 1 KRJ 4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；13-19%PRG3350 100mM NaAcetate, pH 5.6 200mM (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.260
3KRL cFMS Tyrosine kinase in complex with 5-Cyano-furan-2-carboxylic acid [4-(4-methyl-piperazin-1-yl)-2-piperidin-1-yl-phenyl]-amide 提交 2009-11-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）片段：UNP residues 538-678, 753-922 链 A 753–922（170 aa）片段：UNP residues 538-678, 753-922	突变：C584S 突变：C584S	KRL 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；13-19% PEG3350 100mM NaAc pH 5.6 200mM (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 2.40 Å R-free 0.264
3LCD Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R 提交 2010-01-10	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–681（144 aa）片段：Kinase Domain 链 A 741–919（179 aa）片段：Kinase Domain	突变：KID domain replaced by linker 突变：KID domain replaced by linker	SO4 SULFATE ION × 2 BDY N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；Equal volumes of protein:ligand (10 mg/ml protein, 1 mM ligand, 200 mM NaCl, 50 mM Potassium dihydrogen phosphate pH 7.5, 5% glycerol, 0.25 mM TCEP) and well solution (0.1 M sodium acetate pH 5.5, 0.2 M Lithium sulfate, 5 mM DTT, 1.5% glycerol, 10-25% PEG 3350) were mixed and set up., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.50 Å R-free 0.265
3LCO Inhibitor Bound to A DFG-Out structure of the Kinase Domain of CSF-1R 提交 2010-01-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 550–695（146 aa）片段：Kinase Domain 链 A 742–919（178 aa）片段：Kinase Domain	未记录	LC0 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；11 mg/mL protein incubated with 4 mM inhibitor at 4C overnight followed by addition of 1 ug Arg-C (per 50 ul sample) at 22C for 24 hours, followed by addition of 0.5 uL of 5 mg/mL leupeptin, followed by mixing with equal volumes of well solution:22.5-35% PEG 4000, 0.1M Tris-HCL pH 8.5, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	分辨率 3.40 Å R-free 0.289
4DKD Crystal Structure of Human Interleukin-34 Bound to Human CSF-1R 提交 2012-02-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 C 20–299（280 aa）片段：D1-D3, UNP residues 20-299	未记录	BMA beta-D-mannopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1M Calcium acetate, 0.1M Mes pH 6.0, 15% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 3.00 Å R-free 0.287
4HW7 Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME 提交 2012-11-07	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 542–919（378 aa）片段：FMS kinase domain with KID	突变：C667T, C830S, C907T	64M 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MgCl and 0.1M Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.90 Å R-free 0.267
4HW7 Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME 提交 2012-11-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 542–919（378 aa）片段：FMS kinase domain with KID	突变：C667T, C830S, C907T	64M 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MgCl and 0.1M Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.90 Å R-free 0.267
4LIQ Structure of the extracellular domain of human CSF-1 receptor in complex with the Fab fragment of RG7155 提交 2013-07-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 3 PDB 声明：trimeric	链 E 2–512（511 aa）片段：ectodomain, UNP residues 2-512	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG 3350, 0.2M lithium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.60 Å R-free 0.237
4R7H Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 提交 2014-08-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 541–919（379 aa）片段：FMS kinase domain with KID (UNP residues 538-919)	突变：C667T, C830S, C907T	P31 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MGCL AND 0.1M TRIS, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.80 Å R-free 0.248
4R7H Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 提交 2014-08-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 541–919（379 aa）片段：FMS kinase domain with KID (UNP residues 538-919)	突变：C667T, C830S, C907T	P31 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MGCL AND 0.1M TRIS, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.80 Å R-free 0.248
4R7I Crystal structure of FMS kinase domain with a small molecular inhibitor, GLEEVEC 提交 2014-08-27	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 541–919（379 aa）片段：FMS kinase domain with KID (UNP residues 538-919)	突变：C667T, C830S, C907T	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MGCL AND 0.1M TRIS, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.236
4R7I Crystal structure of FMS kinase domain with a small molecular inhibitor, GLEEVEC 提交 2014-08-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 541–919（379 aa）片段：FMS kinase domain with KID (UNP residues 538-919)	突变：C667T, C830S, C907T	STI 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG8K, 0.2M MGCL AND 0.1M TRIS, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.236
4WRL Structure of the human CSF-1:CSF-1R complex 提交 2014-10-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 20–296（277 aa）片段：UNP residues 20-296 链 C 20–296（277 aa）片段：UNP residues 20-296	突变：N240Q 突变：N240Q	SIA N-acetyl-alpha-neuraminic acid × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.2 M Lithium sulfate monohydrate, 0.1 M Tris pH 8.5 and 28% w/v PEG 3350	分辨率 2.80 Å R-free 0.261
4WRM Structure of the human CSF-1:CSF-1R complex 提交 2014-10-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 20–504（485 aa）片段：UNP RESIDUES 20-504	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1 M NaCl, 0.1 M Tris pH 8.0 and 8% w/v PEG 20000	分辨率 6.85 Å R-free 0.359
6IG8 Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952 提交 2018-09-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 550–695（146 aa）链 A 742–919（178 aa）	突变：S688A 突变：S688A	MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 A7O (3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；11 mg/mL protein, 22.5-35% PEG 4000, 0.1M Tris-HCL pH 8.5, 0.2M MgCl2	分辨率 1.80 Å R-free 0.192
6N33 Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622 提交 2018-11-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 542–919（378 aa）	突变：C667T, C830S, C907T	622 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG8K, 0.2M MGCL2 AND 0.1M TRIS, PH 7.5	分辨率 2.25 Å R-free 0.220
6T2W Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) 提交 2019-10-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 542–919（378 aa）片段：kinase domain (amino acids Q542-R919) with internal deletion of amino acids 697-740	未记录	M9T 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one × 1 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；277 K；16% PEG3350, 0.15 M Ammonium Sulfate, 0.1 M PCTP pH 5.5	分辨率 1.70 Å R-free 0.187
6WXJ CSF1R signaling is a regulator of pathogenesis in progressive MS 提交 2020-05-10	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）链 A 753–922（170 aa）	未记录	UF4 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；294 K；0.1 M MES, pH 6.5, 21.3% polyethylene glycol 3350 and 0.25 M ammonium sulfate	分辨率 2.62 Å R-free 0.272
7TNH Crystal structure of CSF1R kinase domain in complex with DP-6233 提交 2022-01-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 信息不足单体；蛋白 × 1 PDB 声明：monomeric	链 A 549–678（130 aa）链 A 753–922（170 aa）	未记录	NA SODIUM ION × 1 CL CHLORIDE ION × 4 I9W 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；CSF1R at 10.7 mg/mL in 50 mM Tris pH 7.5, 200 mM NaCl, 5% glycerol with 5-fold excess of arylamide compound against 10% PEG 10,000, 0.1 M MES pH 6.5 and 0.1 M magnesium acetate soaked over two nights with 1 mM DP-6233 and 20% ethylene glycol as cryo	分辨率 2.70 Å R-free 0.269
8CGC Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) 提交 2023-02-03	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 542–919（378 aa）	突变：S688A	LMR (2S)-2-hydroxybutanedioic acid × 1 GOL GLYCEROL × 1 UIK [4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.3 M DL-Malic acid pH 7.0, 23.0% w/v PEG 3350	分辨率 1.93 Å R-free 0.206
8JOT Crystal structure of CSF-1R kinase domain with sulfatinib 提交 2023-06-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 542–919（378 aa）	突变：C137T,C300S,C377T	UKI Sulfatinib × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；19% PEG8K, 0.2 M MgCl and 0.1 M Tris, pH 7.5	分辨率 1.69 Å R-free 0.207
8W1L Structure of CSF1R kinase domain in complex with Cpd 32 提交 2024-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 538–678（141 aa）链 A 774–922（149 aa）	突变：residues 679-752 replaced by residues 577-597 of FGFR1 突变：residues 679-752 replaced by residues 577-597 of FGFR1	A1AE3 [3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 6.5；293 K；0.1 M MES, pH 6.5, 21.3% polyethylene glycol 3350 and 0.25 M ammonium sulfate	分辨率 2.26 Å R-free 0.226

共 25 个其他 PDB 条目、28 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	CSF1R_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 12–343； UniProt 542–919

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	7mfc
沉积日期 deposition_date	2021-04-08
结构标题 title	Crystal structure of CSF1R in complex with vimseltinib
关键词 keywords	cancer, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	19.96 Å
回转半径 Rg (电子) rg_electron	18.91 Å
零角强度 I(0) i0	16320200.00
分子量 molecular_weight	31011.0 kDa
排除体积 excluded_volume	38978 Å³
包络体积 envelope_volume	45322 Å³
水化壳体积 shell_volume	19908 Å³
包络直径 envelope_diameter	64.4 Å
壳层 Rg shell_rg	25.40 Å
包络 Rg envelope_rg	19.23 Å
形状 Rg shape_rg	18.93 Å
总 Rg total_rg	19.81 Å
总原子数 total_atoms	2189
残基数 n_residues	287
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	62.9 Å
Rg (实空间) rg_real	19.86 Å
Rg 误差 (实空间) rg_real_error	0.38 Å
I(0) (实空间) i0_real	1.6320e+07
I(0) 误差 (实空间) i0_real_error	2.0910e+05
Rg (倒空间) rg_reciprocal	19.88 Å
I(0) (倒空间) i0_reciprocal	16320000.0000
解质量估计 total_estimate	0.8202
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	23.9 Å
偏度 Skewness skewness	0.236
峰度 Kurtosis kurtosis	-0.392
角度范围 angular_range	— – 0.4000 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4783000.0000
实空间数据点数 n_real_points	72
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.887; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (3)

实体 1 Entity 1 polymer

描述 description	Macrophage colony-stimulating factor 1 receptor
分子量 formula_weight	38640.2 kDa
EC 编号 ec_number	2.7.10.1
突变 mutation	C677T, C830S, C907T
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	2204

MKKGHHHHHHGQKPKYQVRWKIIESYEGNSYTFIDPTQLPYNEKWEFPRNNLQFGKTLGAGAFGKVVEATAFGLGKEDAVLKVAVKMLKSTAHADEKEALMSELKIMSHLGQHENIVNLLGACTHGGPVLVITEYCTYGDLLNFLRRKAEAMLGPSLSPGQDPEGLDKEDGRPLELRDLLHFSSQVAQGMAFLASKNCIHRDVAARNVLLTNGHVAKIGDFGLARDIMNDSNYIVKGNARLPVKWMAPESIFDSVYTVQSDVWSYGILLWEIFSLGLNPYPGILVNSKFYKLVKDGYQMAQPAFAPKNIYSIMQACWALEPTHRPTFQQITSFLQEQAQEDRR

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Trichoplusia ni

实体 2 Entity 2 non-polymer

描述 description	Vimseltinib
分子量 formula_weight	431.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	14

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8. 引用文献 (1)

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晶胞边长 a length_a	61.870 Å
晶胞边长 b length_b	61.870 Å
晶胞边长 c length_c	181.750 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 43 21 2
空间群编号 int_tables_number	96
晶系 crystal_system	—

分辨率 resolution	2.800 Å
最低分辨率 resolution_low	45.440 Å
R 因子 r_factor	0.2290
R_work r_work	0.2260
R_free r_free	0.2560

fit	/app/data/saxs_computation/mf/7mfc/7mfc.fit
pddf	/app/data/pr_computation/mf/7mfc/7mfc.pr.out
profile	/app/data/saxs_computation/mf/7mfc/7mfc.dat