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4MD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1SC1Vdoub1.38Å1.39ÅAromatic
C1SC1Psing1.38Å1.39ÅAromatic
C1VC1Qsing1.38Å1.39ÅAromatic
C1QCL1Rsing1.74Å1.72Å
C1QC1Udoub1.38Å1.39ÅAromatic
C1UC1Tsing1.38Å1.39ÅAromatic
C1TC1Pdoub1.38Å1.39ÅAromatic
C1PC1Jsing1.51Å1.52Å
C1JN1Csing1.47Å1.48Å
N1CC1Wsing1.46Å1.48Å
N1CS1Asing1.66Å1.64Å
S1AO1Fdoub1.42Å1.50Å
S1AO1Gdoub1.42Å1.49Å
S1AC1Dsing1.76Å1.72Å
C1DC1Mdoub1.38Å1.37ÅAromatic
C1DC1Lsing1.38Å1.39ÅAromatic
C1MC1Nsing1.38Å1.38ÅAromatic
C1NC1Edoub1.38Å1.39ÅAromatic
C1LC1Odoub1.38Å1.39ÅAromatic
C1OC1Esing1.38Å1.39ÅAromatic
C1ES1Bsing1.76Å1.74Å
S1BO1Hdoub1.42Å1.49Å
S1BO1Idoub1.42Å1.50Å
S1BN1Ksing1.66Å1.63Å
C1SH1Ssing1.08Å1.08Å
C1VH1Vsing1.08Å1.08Å
C1UH1Using1.08Å1.08Å
C1TH1Tsing1.08Å1.08Å
C1JH1Jsing1.09Å1.10Å
C1JH1JAsing1.09Å1.10Å
C1WH1Wsing1.09Å1.10Å
C1WH1WAsing1.09Å1.10Å
C1WH1WBsing1.09Å1.10Å
C1MH1Msing1.08Å1.08Å
C1NH1Nsing1.08Å1.08Å
C1LH1Lsing1.08Å1.08Å
C1OH1Osing1.08Å1.08Å
N1KHN1Ksing0.97Å1.00Å
N1KHN1Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1VC1SC1P119.4°120.0°
C1SC1VC1Q120.1°120.0°
C1VC1SH1S120.3°120.0°
C1SC1VH1V120.0°120.0°
C1SC1PC1T120.4°120.0°
C1SC1PC1J119.6°120.0°
C1PC1SH1S120.3°120.0°
C1VC1QCL1R119.8°120.0°
C1VC1QC1U120.7°120.0°
C1QC1VH1V120.0°120.1°
CL1RC1QC1U119.5°120.0°
C1QC1UC1T119.4°120.0°
C1QC1UH1U120.3°120.0°
C1UC1TC1P120.0°120.0°
C1TC1UH1U120.3°120.0°
C1UC1TH1T120.0°120.0°
C1TC1PC1J119.9°120.0°
C1PC1TH1T120.0°120.0°
C1PC1JN1C103.5°109.5°
C1PC1JH1J111.5°109.5°
C1PC1JH1JA112.8°109.5°
C1JN1CC1W108.4°120.0°
C1JN1CS1A112.8°120.0°
N1CC1JH1J111.5°109.5°
N1CC1JH1JA112.8°109.4°
C1WN1CS1A111.4°120.0°
N1CC1WH1W109.5°109.5°
N1CC1WH1WA109.5°109.5°
N1CC1WH1WB109.5°109.5°
N1CS1AO1F109.2°106.4°
N1CS1AO1G111.5°106.4°
N1CS1AC1D104.4°107.2°
O1FS1AO1G109.7°123.1°
O1FS1AC1D110.1°106.4°
O1GS1AC1D111.8°106.4°
S1AC1DC1M117.6°120.0°
S1AC1DC1L121.3°120.0°
C1MC1DC1L121.1°120.1°
C1DC1MC1N119.5°120.0°
C1DC1MH1M120.3°120.0°
C1DC1LC1O119.5°119.9°
C1DC1LH1L120.3°120.0°
C1MC1NC1E120.3°120.0°
C1NC1MH1M120.2°120.0°
C1MC1NH1N119.8°119.9°
C1NC1EC1O120.2°120.0°
C1NC1ES1B116.8°120.0°
C1EC1NH1N119.9°120.1°
C1LC1OC1E119.3°120.0°
C1OC1LH1L120.2°120.0°
C1LC1OH1O120.4°120.0°
C1OC1ES1B122.9°120.0°
C1EC1OH1O120.4°120.0°
C1ES1BO1H110.1°106.4°
C1ES1BO1I117.0°106.4°
C1ES1BN1K101.8°107.2°
O1HS1BO1I104.1°123.2°
O1HS1BN1K114.0°106.4°
O1IS1BN1K110.2°106.4°
S1BN1KHN1K109.5°120.0°
S1BN1KHN1A109.5°120.1°
H1JC1JH1JA104.9°109.5°
H1WC1WH1WA109.5°109.5°
H1WC1WH1WB109.5°109.5°
H1WAC1WH1WB109.5°109.4°
HN1KN1KHN1A109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1VC1SC1PH1S180.0°179.7°
C1SC1VC1QH1V180.0°179.9°
C1SC1VC1QCL1R179.9°180.0°
C1SC1VC1QC1U0.4°0.1°
C1VC1SC1PC1T1.2°0.0°
C1VC1SC1PC1J178.8°180.0°
C1PC1SC1VC1Q0.9°0.0°
C1SC1PC1TC1U0.9°0.0°
C1SC1PC1TC1J177.6°180.0°
C1SC1PC1JN1C69.4°84.7°
C1PC1SC1VH1V179.1°179.9°
C1SC1PC1TH1T179.1°180.0°
C1SC1PC1JH1J170.6°155.3°
C1SC1PC1JH1JA52.8°35.3°
C1VC1QCL1RC1U179.7°179.9°
C1VC1QC1UC1T0.1°0.1°
C1QC1VC1SH1S179.0°179.8°
C1VC1QC1UH1U180.0°180.0°
CL1RC1QC1UC1T179.7°180.0°
CL1RC1QC1VH1V0.0°0.1°
CL1RC1QC1UH1U0.3°0.1°
C1QC1UC1TH1U180.0°180.0°
C1QC1UC1TC1P0.3°0.0°
C1UC1QC1VH1V179.6°179.9°
C1QC1UC1TH1T179.7°180.0°
C1UC1TC1PH1T180.0°180.0°
C1UC1TC1PC1J178.5°180.0°
C1TC1PC1JN1C108.3°95.4°
C1TC1PC1SH1S178.8°179.7°
C1PC1TC1UH1U179.7°180.0°
C1TC1PC1JH1J11.7°24.6°
C1TC1PC1JH1JA129.5°144.7°
C1PC1JN1CH1J120.0°120.0°
C1PC1JN1CH1JA122.2°120.0°
C1PC1JN1CC1W87.9°83.5°
C1PC1JN1CS1A148.3°96.4°
C1JC1PC1SH1S1.2°0.2°
C1JC1PC1TH1T1.5°0.0°
C1PC1JH1JH1JA122.4°120.0°
C1JN1CC1WS1A124.6°180.0°
C1JN1CS1AO1F19.0°151.4°
C1JN1CS1AO1G140.3°18.5°
C1JN1CS1AC1D98.7°95.1°
N1CC1JH1JH1JA122.4°120.0°
C1JN1CC1WH1W71.1°90.0°
C1JN1CC1WH1WA48.9°150.0°
C1JN1CC1WH1WB168.9°30.1°
C1WN1CS1AO1F141.2°28.6°
C1WN1CS1AO1G97.5°161.5°
C1WN1CS1AC1D23.4°85.0°
C1WN1CC1JH1J152.2°156.5°
C1WN1CC1JH1JA34.4°36.5°
N1CC1WH1WH1WA120.0°120.0°
N1CC1WH1WH1WB120.0°120.0°
N1CC1WH1WAH1WB120.0°119.9°
N1CS1AO1FO1G122.4°123.0°
N1CS1AO1FC1D114.1°114.1°
N1CS1AO1GC1D116.4°114.1°
N1CS1AC1DC1M121.6°85.2°
N1CS1AC1DC1L55.8°95.1°
S1AN1CC1JH1J28.4°23.6°
S1AN1CC1JH1JA89.5°143.6°
S1AN1CC1WH1W53.5°90.0°
S1AN1CC1WH1WA173.5°30.1°
S1AN1CC1WH1WB66.5°150.0°
O1FS1AO1GC1D122.5°122.9°
O1FS1AC1DC1M4.4°28.4°
O1FS1AC1DC1L172.9°151.4°
O1GS1AC1DC1M117.8°161.2°
O1GS1AC1DC1L64.8°18.5°
S1AC1DC1MC1L177.4°179.7°
S1AC1DC1MC1N178.8°180.0°
S1AC1DC1LC1O178.2°180.0°
S1AC1DC1MH1M1.2°0.0°
S1AC1DC1LH1L1.8°0.0°
C1DC1MC1NH1M180.0°180.0°
C1DC1MC1NC1E2.4°0.0°
C1MC1DC1LC1O0.9°0.3°
C1DC1MC1NH1N177.6°180.0°
C1MC1DC1LH1L179.1°179.7°
C1LC1DC1MC1N1.4°0.3°
C1DC1LC1OH1L180.0°180.0°
C1DC1LC1OC1E1.4°0.0°
C1LC1DC1MH1M178.6°179.7°
C1DC1LC1OH1O178.6°180.0°
C1MC1NC1EH1N180.0°179.9°
C1MC1NC1EC1O2.9°0.3°
C1MC1NC1ES1B179.8°180.0°
C1NC1EC1OC1L2.4°0.3°
C1NC1EC1OS1B176.7°179.7°
C1NC1ES1BO1H154.8°156.5°
C1NC1ES1BO1I86.6°23.6°
C1NC1ES1BN1K33.5°89.9°
C1EC1NC1MH1M177.6°180.0°
C1NC1EC1OH1O177.6°179.7°
C1LC1OC1EH1O180.0°180.0°
C1LC1OC1ES1B179.1°180.0°
C1OC1ES1BO1H22.0°23.8°
C1OC1ES1BO1I96.6°156.7°
C1OC1ES1BN1K143.3°89.8°
C1OC1EC1NH1N177.1°179.7°
C1EC1OC1LH1L178.6°180.0°
C1ES1BO1HO1I126.2°122.9°
C1ES1BO1HN1K113.6°114.1°
C1ES1BO1IN1K115.6°114.1°
S1BC1EC1NH1N0.2°0.0°
S1BC1EC1OH1O0.9°0.0°
C1ES1BN1KHN1K57.6°150.0°
C1ES1BN1KHN1A62.4°30.0°
O1HS1BO1IN1K122.7°123.0°
O1HS1BN1KHN1K60.9°36.5°
O1HS1BN1KHN1A179.1°143.5°
O1IS1BN1KHN1K177.5°96.5°
O1IS1BN1KHN1A62.5°83.5°
S1BN1KHN1KHN1A120.0°180.0°
H1SC1SC1VH1V0.9°0.3°
H1UC1UC1TH1T0.3°0.0°
H1WC1WH1WAH1WB120.0°120.0°
H1MC1MC1NH1N2.4°0.0°
H1LC1LC1OH1O1.4°0.0°

248636

PDB entries from 2026-02-04

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