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PH7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub0.00Å1.36Å
C1CB2sing0.00Å1.47Å
C1H1sing0.00Å1.10Å
C2Nsing0.00Å1.47Å
C2CD2sing0.00Å1.49Å
NCsing0.00Å1.36Å
NHNsing0.00Å1.02Å
COdoub0.00Å1.23Å
CCC1sing0.00Å1.46Å
CB2CB3doub0.00Å1.41ÅAromatic
CB2CB1sing0.00Å1.38ÅAromatic
CB3CB4sing0.00Å1.42ÅAromatic
CB3HB3sing0.00Å1.10Å
CB6CB5sing0.00Å1.40ÅAromatic
CB6CB4doub0.00Å1.40ÅAromatic
CB6OABsing0.00Å1.38Å
CB1CB5doub0.00Å1.38ÅAromatic
CB1HB1sing0.00Å1.10Å
CB5HB5sing0.00Å1.10Å
CA1CA2doub0.00Å1.41ÅAromatic
CA1CA6sing0.00Å1.42ÅAromatic
CA1OABsing0.00Å1.41Å
CA2CA3sing0.00Å1.42ÅAromatic
CA2BRA2sing0.00Å1.87Å
CA3CA4doub0.00Å1.41ÅAromatic
CA3HA3sing0.00Å1.10Å
CA4CA5sing0.00Å1.41ÅAromatic
CA4HA4sing0.00Å1.10Å
CA5CA6doub0.00Å1.41ÅAromatic
CA5HA5sing0.00Å1.10Å
CA6HA6sing0.00Å1.10Å
CD2OC1sing0.00Å1.25Å
CD2OC2doub0.00Å1.25Å
OC1HC1sing0.00Å0.95Å
CC1CC2doub0.00Å1.41ÅAromatic
CC1CC6sing0.00Å1.42ÅAromatic
CC2CC3sing0.00Å1.41ÅAromatic
CC2HC2sing0.00Å1.10Å
CC3CC4doub0.00Å1.42ÅAromatic
CC3HC3sing0.00Å1.10Å
CC4CC5sing0.00Å1.41ÅAromatic
CC4HC4sing0.00Å1.10Å
CC5CC6doub0.00Å1.41ÅAromatic
CC5HC5sing0.00Å1.10Å
CC6HC6sing0.00Å1.10Å
CB4HB4sing0.00Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1CB2130.1°90.0°
C2C1H1109.9°90.0°
C1C2N126.7°90.0°
C1C2CD2117.7°90.0°
CB2C1H1120.0°90.0°
C1CB2CB3122.6°90.0°
C1CB2CB1119.2°90.0°
NC2CD2115.5°90.0°
C2NC123.9°90.0°
C2NHN122.0°90.0°
C2CD2OC1117.8°90.0°
C2CD2OC2120.1°90.0°
CNHN114.0°90.0°
NCO123.5°90.0°
NCCC1114.0°90.0°
OCCC1122.5°90.0°
CCC1CC2119.6°90.0°
CCC1CC6119.8°90.0°
CB3CB2CB1118.0°90.0°
CB2CB3CB4119.8°90.0°
CB2CB3HB3119.8°90.0°
CB2CB1CB5122.3°90.0°
CB2CB1HB1118.9°90.0°
CB4CB3HB3120.4°90.0°
CB3CB4CB6120.7°90.0°
CB3CB4HB4120.3°90.0°
CB5CB6CB4118.2°90.0°
CB5CB6OAB121.5°90.0°
CB6CB5CB1120.9°90.0°
CB6CB5HB5120.1°90.0°
CB4CB6OAB120.3°90.0°
CB6CB4HB4119.0°90.0°
CB6OABCA1123.0°90.0°
CB5CB1HB1118.9°90.0°
CB1CB5HB5119.1°90.0°
CA2CA1CA6118.4°90.0°
CA2CA1OAB119.9°90.0°
CA1CA2CA3120.4°90.0°
CA1CA2BRA2118.7°90.0°
CA6CA1OAB121.5°90.0°
CA1CA6CA5121.6°90.0°
CA1CA6HA6119.8°90.0°
CA3CA2BRA2120.6°90.0°
CA2CA3CA4119.9°90.0°
CA2CA3HA3120.5°90.0°
CA4CA3HA3119.6°90.0°
CA3CA4CA5120.3°90.0°
CA3CA4HA4119.8°90.0°
CA5CA4HA4119.8°90.0°
CA4CA5CA6119.2°90.0°
CA4CA5HA5120.5°90.0°
CA6CA5HA5120.3°90.0°
CA5CA6HA6118.6°90.0°
OC1CD2OC2122.0°90.0°
CD2OC1HC1117.8°90.0°
CC2CC1CC6120.4°90.0°
CC1CC2CC3119.6°90.0°
CC1CC2HC2120.3°90.0°
CC1CC6CC5120.0°90.0°
CC1CC6HC6120.6°90.0°
CC3CC2HC2120.1°90.0°
CC2CC3CC4119.9°90.0°
CC2CC3HC3119.6°90.0°
CC4CC3HC3120.5°90.0°
CC3CC4CC5120.6°90.0°
CC3CC4HC4119.9°90.0°
CC5CC4HC4119.5°90.0°
CC4CC5CC6119.3°90.0°
CC4CC5HC5120.7°90.0°
CC6CC5HC5120.0°90.0°
CC5CC6HC6119.4°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1CB2H1180.0°90.0°
C1C2NCD2176.1°90.0°
C1C2NC82.6°90.0°
C1C2NHN97.5°90.0°
C2C1CB2CB3170.2°90.0°
C2C1CB2CB114.2°90.0°
C1C2CD2OC18.9°90.0°
C1C2CD2OC2167.5°90.0°
CB2C1C2N3.4°90.0°
CB2C1C2CD2179.4°90.0°
C1CB2CB3CB1175.7°90.0°
C1CB2CB3CB4173.2°90.0°
C1CB2CB3HB36.8°90.0°
C1CB2CB1CB5175.3°90.0°
C1CB2CB1HB14.7°90.0°
H1C1C2N176.6°90.0°
H1C1C2CD20.6°90.0°
H1C1CB2CB39.8°90.0°
H1C1CB2CB1165.8°90.0°
C2NCHN180.0°90.0°
C2NCO2.0°90.0°
C2NCCC1178.9°90.0°
NC2CD2OC1174.7°90.0°
NC2CD2OC28.9°90.0°
CD2C2NC101.3°90.0°
CD2C2NHN78.6°90.0°
C2CD2OC1OC2176.3°90.0°
C2CD2OC1HC1180.0°90.0°
NCOCC1179.0°90.0°
NCCC1CC2155.4°90.0°
NCCC1CC630.7°90.0°
HNNCO178.0°90.0°
HNNCCC11.0°90.0°
OCCC1CC225.5°90.0°
OCCC1CC6148.4°90.0°
CCC1CC2CC6173.9°90.0°
CCC1CC2CC3170.0°90.0°
CCC1CC2HC210.0°90.0°
CCC1CC6CC5168.9°90.0°
CCC1CC6HC611.1°90.0°
CB2CB3CB4HB3180.0°90.0°
CB2CB3CB4CB63.9°90.0°
CB3CB2CB1CB50.5°90.0°
CB3CB2CB1HB1179.5°90.0°
CB2CB3CB4HB4176.1°90.0°
CB1CB2CB3CB42.5°90.0°
CB1CB2CB3HB3177.5°90.0°
CB2CB1CB5CB60.1°90.0°
CB2CB1CB5HB1180.0°90.0°
CB2CB1CB5HB5179.8°90.0°
CB3CB4CB6CB53.2°90.0°
CB3CB4CB6HB4180.0°90.0°
CB3CB4CB6OAB175.7°90.0°
HB3CB3CB4CB6176.1°90.0°
HB3CB3CB4HB43.9°90.0°
CB5CB6CB4OAB178.9°90.0°
CB6CB5CB1HB5180.0°90.0°
CB6CB5CB1HB1179.8°90.0°
CB5CB6OABCA16.4°90.0°
CB5CB6CB4HB4176.8°90.0°
CB4CB6CB5CB11.2°90.0°
CB4CB6CB5HB5178.9°90.0°
CB4CB6OABCA1172.5°90.0°
OABCB6CB5CB1177.7°90.0°
OABCB6CB5HB52.3°90.0°
CB6OABCA1CA294.2°90.0°
CB6OABCA1CA690.4°90.0°
OABCB6CB4HB44.3°90.0°
HB1CB1CB5HB50.2°90.0°
CA2CA1CA6OAB175.5°90.0°
CA1CA2CA3BRA2174.0°90.0°
CA1CA2CA3CA42.2°90.0°
CA1CA2CA3HA3177.8°90.0°
CA2CA1CA6CA50.9°90.0°
CA2CA1CA6HA6179.2°90.0°
CA6CA1CA2CA32.5°90.0°
CA6CA1CA2BRA2171.6°90.0°
CA1CA6CA5CA41.1°90.0°
CA1CA6CA5HA6180.0°90.0°
CA1CA6CA5HA5178.9°90.0°
OABCA1CA2CA3178.1°90.0°
OABCA1CA2BRA23.9°90.0°
OABCA1CA6CA5176.3°90.0°
OABCA1CA6HA63.7°90.0°
CA2CA3CA4HA3180.0°90.0°
CA2CA3CA4CA50.2°90.0°
CA2CA3CA4HA4179.8°90.0°
BRA2CA2CA3CA4171.8°90.0°
BRA2CA2CA3HA38.2°90.0°
CA3CA4CA5HA4180.0°90.0°
CA3CA4CA5CA61.5°90.0°
CA3CA4CA5HA5178.6°90.0°
HA3CA3CA4CA5179.8°90.0°
HA3CA3CA4HA40.2°90.0°
CA4CA5CA6HA5180.0°90.0°
CA4CA5CA6HA6178.8°90.0°
HA4CA4CA5CA6178.5°90.0°
HA4CA4CA5HA51.5°90.0°
HA5CA5CA6HA61.1°90.0°
OC2CD2OC1HC13.7°90.0°
CC1CC2CC3HC2180.0°90.0°
CC1CC2CC3CC40.0°90.0°
CC1CC2CC3HC3179.9°90.0°
CC2CC1CC6CC54.9°90.0°
CC2CC1CC6HC6175.1°90.0°
CC6CC1CC2CC33.8°90.0°
CC6CC1CC2HC2176.1°90.0°
CC1CC6CC5CC42.1°90.0°
CC1CC6CC5HC6180.0°90.0°
CC1CC6CC5HC5177.9°90.0°
CC2CC3CC4HC3180.0°90.0°
CC2CC3CC4CC52.9°90.0°
CC2CC3CC4HC4177.2°90.0°
HC2CC2CC3CC4180.0°90.0°
HC2CC2CC3HC30.0°90.0°
CC3CC4CC5HC4179.9°90.0°
CC3CC4CC5CC61.8°90.0°
CC3CC4CC5HC5178.2°90.0°
HC3CC3CC4CC5177.1°90.0°
HC3CC3CC4HC42.8°90.0°
CC4CC5CC6HC5180.0°90.0°
CC4CC5CC6HC6177.9°90.0°
HC4CC4CC5CC6178.3°90.0°
HC4CC4CC5HC51.7°90.0°
HC5CC5CC6HC62.1°90.0°

226262

PDB entries from 2024-10-16

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