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Summary Geometry Related PDB entries

BG9

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C12	doub	1.22Å	1.19Å
C12	C11	sing	1.46Å	1.54Å
C11	C10	doub	1.35Å	1.34Å
C10	C3	sing	1.47Å	1.54Å
O1	C9	doub	1.22Å	1.41Å
C3	C2	doub	1.40Å	1.39Å	Aromatic
C3	C4	sing	1.41Å	1.40Å	Aromatic
C2	C1	sing	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.46Å	1.54Å
C7	C8	doub	1.35Å	1.34Å
C7	C4	sing	1.47Å	1.54Å
C4	C5	doub	1.40Å	1.39Å	Aromatic
C1	C6	doub	1.39Å	1.40Å	Aromatic
C5	C6	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C9	O3	sing	1.35Å	139.65Å
C12	O4	sing	1.35Å	1.48Å
O3	H7	sing	0.97Å	0.00Å
O4	H8	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C12	C11	119.3°	120.0°
O2	C12	O4	119.8°	120.0°
C12	C11	C10	119.9°	120.0°
C12	C11	H10	120.0°	120.0°
C11	C12	O4	120.9°	119.9°
C11	C10	C3	118.5°	120.0°
C11	C10	H9	120.8°	120.0°
C10	C11	H10	120.0°	120.0°
C10	C3	C2	118.6°	120.3°
C10	C3	C4	121.5°	120.2°
C3	C10	H9	120.7°	120.0°
O1	C9	C8	108.9°	120.0°
O1	C9	O3	42.3°	120.0°
C2	C3	C4	119.9°	119.5°
C3	C2	C1	120.2°	120.0°
C3	C2	H2	119.9°	119.9°
C3	C4	C7	121.1°	120.2°
C3	C4	C5	119.8°	119.5°
C2	C1	C6	119.9°	120.5°
C2	C1	H1	120.0°	119.7°
C1	C2	H2	119.9°	120.1°
C9	C8	C7	119.8°	120.0°
C9	C8	H6	120.1°	120.0°
C8	C9	O3	151.0°	119.9°
C8	C7	C4	121.1°	120.0°
C8	C7	H5	119.5°	120.0°
C7	C8	H6	120.1°	120.0°
C7	C4	C5	119.1°	120.3°
C4	C7	H5	119.5°	120.0°
C4	C5	C6	120.1°	120.0°
C4	C5	H3	119.9°	119.9°
C1	C6	C5	120.1°	120.5°
C6	C1	H1	120.0°	119.7°
C1	C6	H4	119.9°	119.7°
C6	C5	H3	120.0°	120.1°
C5	C6	H4	120.0°	119.7°
C9	O3	H7	90.0°	113.9°
C12	O4	H8	109.5°	113.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C12	C11	O4	179.4°	180.0°
O2	C12	C11	C10	130.2°	0.0°
O2	C12	C11	H10	49.8°	180.0°
O2	C12	O4	H8	0.0°	0.0°
C12	C11	C10	H10	180.0°	180.0°
C12	C11	C10	C3	179.4°	180.0°
C12	C11	C10	H9	0.6°	0.1°
C11	C12	O4	H8	179.4°	180.0°
C11	C10	C3	H9	180.0°	179.9°
C11	C10	C3	C2	21.6°	0.0°
C11	C10	C3	C4	159.5°	180.0°
C10	C11	C12	O4	49.1°	180.0°
C10	C3	C2	C4	178.9°	180.0°
C10	C3	C2	C1	179.8°	180.0°
C10	C3	C4	C7	0.6°	0.0°
C10	C3	C4	C5	179.7°	180.0°
C10	C3	C2	H2	0.2°	0.0°
C3	C10	C11	H10	0.6°	0.0°
O1	C9	C8	O3	5.5°	180.0°
O1	C9	C8	C7	89.1°	0.0°
O1	C9	C8	H6	90.9°	180.0°
O1	C9	O3	H7	90.0°	0.0°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	C7	179.5°	180.0°
C2	C3	C4	C5	0.8°	0.0°
C3	C2	C1	C6	0.6°	0.0°
C3	C2	C1	H1	179.4°	179.8°
C2	C3	C10	H9	158.4°	179.9°
C4	C3	C2	C1	0.9°	0.0°
C3	C4	C7	C8	93.0°	180.0°
C3	C4	C7	C5	179.8°	180.0°
C3	C4	C5	C6	0.3°	0.0°
C4	C3	C2	H2	179.1°	180.0°
C3	C4	C5	H3	179.7°	179.9°
C3	C4	C7	H5	87.0°	0.0°
C4	C3	C10	H9	20.5°	0.1°
C2	C1	C6	H1	180.0°	179.8°
C2	C1	C6	C5	0.2°	0.1°
C2	C1	C6	H4	179.8°	179.7°
C9	C8	C7	H6	180.0°	180.0°
C9	C8	C7	C4	179.8°	180.0°
C9	C8	C7	H5	0.2°	0.0°
C8	C9	O3	H7	90.0°	180.0°
C8	C7	C4	H5	180.0°	180.0°
C8	C7	C4	C5	86.7°	0.0°
C7	C8	C9	O3	83.5°	180.0°
C7	C4	C5	C6	179.9°	180.0°
C7	C4	C5	H3	0.1°	0.1°
C4	C7	C8	H6	0.2°	0.0°
C4	C5	C6	C1	0.1°	0.1°
C4	C5	C6	H3	180.0°	179.9°
C4	C5	C6	H4	180.0°	179.7°
C5	C4	C7	H5	93.2°	180.0°
C1	C6	C5	H4	180.0°	179.6°
C6	C1	C2	H2	179.4°	180.0°
C1	C6	C5	H3	180.0°	180.0°
C5	C6	C1	H1	179.8°	179.7°
H1	C1	C2	H2	0.6°	0.2°
H1	C1	C6	H4	0.1°	0.1°
H3	C5	C6	H4	0.0°	0.4°
H5	C7	C8	H6	179.8°	180.0°
H6	C8	C9	O3	96.5°	0.0°
H9	C10	C11	H10	179.4°	179.9°
H10	C11	C12	O4	130.9°	0.0°

223532

PDB entries from 2024-08-07

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