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Summary Geometry Related PDB entries

262

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.42Å	Aromatic
C1	C6	sing	1.40Å	1.41Å	Aromatic
C1	H1	sing	1.08Å	1.10Å
C2	C3	sing	1.39Å	1.42Å	Aromatic
C2	H2	sing	1.08Å	1.10Å
C3	C4	doub	1.38Å	1.43Å	Aromatic
C3	H3	sing	1.08Å	1.10Å
C4	C5	sing	1.39Å	1.43Å	Aromatic
C4	H4	sing	1.08Å	1.10Å
C5	C6	doub	1.40Å	1.45Å	Aromatic
C5	O8	sing	1.36Å	1.42Å
C6	C7	sing	1.47Å	1.48Å
C7	O12	doub	1.21Å	1.30Å
C7	H7	sing	1.08Å	1.10Å
O8	P9	sing	1.61Å	1.57Å
P9	O10	sing	1.61Å	1.53Å
P9	O11	sing	1.61Å	1.56Å
P9	O14	doub	1.48Å	1.51Å
O10	H10	sing	0.97Å	0.95Å
O11	H11	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	123.5°	119.8°
C2	C1	H1	118.6°	120.0°
C1	C2	C3	118.7°	120.4°
C1	C2	H2	120.7°	119.8°
C6	C1	H1	117.9°	120.1°
C1	C6	C5	118.0°	119.6°
C1	C6	C7	114.5°	120.2°
C3	C2	H2	120.6°	119.8°
C2	C3	C4	119.4°	120.4°
C2	C3	H3	119.7°	119.8°
C4	C3	H3	120.9°	119.8°
C3	C4	C5	121.5°	120.1°
C3	C4	H4	119.3°	119.9°
C5	C4	H4	119.2°	120.0°
C4	C5	C6	118.9°	119.6°
C4	C5	O8	116.8°	120.2°
C6	C5	O8	123.2°	120.2°
C5	C6	C7	126.5°	120.2°
C5	O8	P9	119.7°	106.8°
C6	C7	O12	130.3°	120.0°
C6	C7	H7	122.8°	120.1°
O12	C7	H7	106.9°	120.0°
O8	P9	O10	104.6°	109.5°
O8	P9	O11	108.8°	109.4°
O8	P9	O14	110.3°	109.5°
O10	P9	O11	109.6°	109.5°
O10	P9	O14	109.4°	109.5°
P9	O10	H10	104.6°	106.8°
O11	P9	O14	113.8°	109.4°
P9	O11	H11	108.8°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.8°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	H3	179.8°	180.0°
C2	C1	C6	C5	3.9°	0.5°
C2	C1	C6	C7	165.4°	180.0°
C6	C1	C2	C3	2.0°	0.3°
C6	C1	C2	H2	178.0°	179.8°
C1	C6	C5	C4	3.6°	0.5°
C1	C6	C5	C7	167.9°	179.5°
C1	C6	C5	O8	170.9°	179.8°
C1	C6	C7	O12	141.6°	0.0°
C1	C6	C7	H7	38.4°	180.0°
H1	C1	C2	C3	178.0°	180.0°
H1	C1	C2	H2	2.0°	0.0°
H1	C1	C6	C5	176.1°	179.7°
H1	C1	C6	C7	14.6°	0.2°
C2	C3	C4	H3	180.0°	180.0°
C2	C3	C4	C5	0.4°	0.0°
C2	C3	C4	H4	179.7°	180.0°
H2	C2	C3	C4	179.8°	180.0°
H2	C2	C3	H3	0.2°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	1.5°	0.2°
C3	C4	C5	O8	169.7°	179.9°
H3	C3	C4	C5	179.6°	180.0°
H3	C3	C4	H4	0.4°	0.0°
C4	C5	C6	O8	167.3°	179.7°
C4	C5	C6	C7	164.3°	180.0°
C4	C5	O8	P9	104.1°	76.1°
H4	C4	C5	C6	178.4°	179.7°
H4	C4	C5	O8	10.3°	0.0°
C5	C6	C7	O12	50.2°	179.5°
C5	C6	C7	H7	129.8°	0.5°
C6	C5	O8	P9	88.3°	104.2°
O8	C5	C6	C7	3.0°	0.3°
C5	O8	P9	O10	156.0°	176.6°
C5	O8	P9	O11	39.0°	63.4°
C5	O8	P9	O14	86.5°	56.5°
C6	C7	O12	H7	180.0°	180.0°
O8	P9	O10	O11	116.5°	119.9°
O8	P9	O10	O14	118.2°	120.1°
O8	P9	O11	O14	123.4°	120.0°
O8	P9	O10	H10	180.0°	180.0°
O8	P9	O11	H11	179.9°	60.0°
O10	P9	O11	O14	122.8°	120.0°
O10	P9	O11	H11	66.2°	60.0°
O11	P9	O10	H10	63.5°	60.0°
O14	P9	O10	H10	61.9°	59.9°
O14	P9	O11	H11	56.6°	180.0°

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