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Summary Geometry Related PDB entries

A1EFC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.42Å
C3	C4	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.51Å	1.51Å
C2	C7	doub	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.39Å	1.40Å	Aromatic
C6	C8	sing	1.48Å	1.48Å
C8	C9	doub	1.40Å	1.38Å	Aromatic
C8	C11	sing	1.40Å	1.38Å	Aromatic
C9	N1	sing	1.32Å	1.34Å	Aromatic
C11	N2	doub	1.32Å	1.33Å	Aromatic
N1	C10	doub	1.32Å	1.32Å	Aromatic
N2	C10	sing	1.32Å	1.32Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
C3	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
O1	H10	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	C2	111.7°	109.5°
O1	C1	H5	108.9°	109.5°
O1	C1	H6	108.9°	109.4°
C1	O1	H10	109.5°	114.0°
C4	C3	C2	120.6°	120.3°
C3	C4	C5	120.1°	120.1°
C3	C4	H1	119.9°	120.0°
C4	C3	H8	119.7°	119.9°
C3	C2	C1	120.9°	120.0°
C3	C2	C7	118.7°	120.1°
C2	C3	H8	119.7°	119.9°
C4	C5	C6	121.0°	119.9°
C5	C4	H1	119.9°	119.9°
C4	C5	H2	119.5°	120.1°
C1	C2	C7	120.4°	119.9°
C2	C1	H5	108.9°	109.5°
C2	C1	H6	108.9°	109.5°
C2	C7	C6	121.8°	119.9°
C2	C7	H3	119.1°	120.1°
C5	C6	C7	117.8°	119.7°
C5	C6	C8	121.3°	120.1°
C6	C5	H2	119.5°	120.0°
C7	C6	C8	120.8°	120.2°
C6	C7	H3	119.1°	120.0°
C6	C8	C9	122.7°	120.9°
C6	C8	C11	122.4°	120.9°
C9	C8	C11	114.9°	118.1°
C8	C9	N1	123.4°	119.0°
C8	C9	H9	118.3°	120.5°
C8	C11	N2	123.5°	118.9°
C8	C11	H7	118.3°	120.5°
C9	N1	C10	115.6°	120.9°
N1	C9	H9	118.3°	120.5°
C11	N2	C10	115.7°	121.0°
N2	C11	H7	118.2°	120.6°
N1	C10	N2	127.0°	122.0°
N1	C10	H4	116.5°	119.0°
N2	C10	H4	116.5°	119.0°
H5	C1	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	C2	C3	3.5°	89.8°
O1	C1	C2	H5	120.3°	120.0°
O1	C1	C2	H6	120.4°	119.9°
O1	C1	C2	C7	176.9°	90.0°
O1	C1	H5	H6	119.0°	119.9°
C4	C3	C2	H8	180.0°	179.5°
C3	C4	C5	H1	180.0°	179.7°
C4	C3	C2	C1	179.9°	179.8°
C4	C3	C2	C7	0.2°	0.5°
C3	C4	C5	C6	0.8°	0.2°
C3	C4	C5	H2	179.2°	179.8°
C2	C3	C4	C5	0.3°	0.5°
C3	C2	C1	C7	179.7°	179.7°
C3	C2	C7	C6	0.6°	0.3°
C2	C3	C4	H1	179.7°	179.8°
C3	C2	C7	H3	179.3°	179.8°
C3	C2	C1	H5	116.8°	30.3°
C3	C2	C1	H6	123.8°	150.3°
C4	C5	C6	H2	180.0°	180.0°
C4	C5	C6	C7	1.2°	0.0°
C4	C5	C6	C8	179.6°	180.0°
C5	C4	C3	H8	179.7°	180.0°
C1	C2	C7	C6	179.7°	180.0°
C1	C2	C7	H3	0.3°	0.0°
C2	C1	H5	H6	119.0°	120.1°
C1	C2	C3	H8	0.2°	0.2°
C2	C1	O1	H10	180.0°	180.0°
C2	C7	C6	C5	1.1°	0.0°
C2	C7	C6	H3	180.0°	180.0°
C2	C7	C6	C8	179.5°	180.0°
C7	C2	C1	H5	62.8°	150.0°
C7	C2	C1	H6	56.5°	30.0°
C7	C2	C3	H8	179.8°	179.9°
C5	C6	C7	C8	178.4°	180.0°
C5	C6	C8	C9	21.2°	0.0°
C5	C6	C8	C11	158.0°	179.9°
C6	C5	C4	H1	179.2°	179.9°
C5	C6	C7	H3	178.8°	180.0°
C7	C6	C8	C9	157.2°	180.0°
C7	C6	C8	C11	23.7°	0.0°
C7	C6	C5	H2	178.8°	180.0°
C6	C8	C9	C11	179.2°	179.9°
C6	C8	C9	N1	179.5°	180.0°
C6	C8	C11	N2	179.8°	180.0°
C8	C6	C5	H2	0.5°	0.0°
C8	C6	C7	H3	0.5°	0.0°
C6	C8	C11	H7	0.2°	0.0°
C6	C8	C9	H9	0.5°	0.1°
C8	C9	N1	H9	180.0°	179.9°
C9	C8	C11	N2	1.0°	0.0°
C8	C9	N1	C10	1.1°	0.0°
C9	C8	C11	H7	179.0°	180.0°
C11	C8	C9	N1	1.3°	0.1°
C8	C11	N2	H7	180.0°	180.0°
C8	C11	N2	C10	0.6°	0.0°
C11	C8	C9	H9	178.7°	180.0°
C9	N1	C10	N2	0.6°	0.1°
C9	N1	C10	H4	179.4°	179.9°
C11	N2	C10	N1	0.4°	0.1°
C11	N2	C10	H4	179.6°	180.0°
N1	C10	N2	H4	180.0°	179.9°
C10	N1	C9	H9	178.9°	179.9°
C10	N2	C11	H7	179.4°	180.0°
H1	C4	C5	H2	0.8°	0.1°
H1	C4	C3	H8	0.3°	0.3°
H5	C1	O1	H10	59.7°	59.9°
H6	C1	O1	H10	59.6°	60.0°

247947

PDB entries from 2026-01-21

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