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Summary Geometry Related PDB entries

1X8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N11	C9	sing	1.35Å	1.35Å
C5	N6	doub	1.32Å	1.32Å	Aromatic
C5	C4	sing	1.39Å	1.39Å	Aromatic
N6	C7	sing	1.32Å	1.33Å	Aromatic
C9	C4	sing	1.47Å	1.48Å
C9	O10	doub	1.22Å	1.22Å
C4	C3	doub	1.42Å	1.42Å	Aromatic
C7	N8	sing	1.38Å	1.37Å
C7	C2	doub	1.42Å	1.43Å	Aromatic
C3	C2	sing	1.40Å	1.40Å	Aromatic
C3	S12	sing	1.76Å	1.76Å	Aromatic
C2	C1	sing	1.40Å	1.40Å	Aromatic
C1	C13	doub	1.34Å	1.35Å	Aromatic
S12	C13	sing	1.76Å	1.75Å	Aromatic
C13	C14	sing	1.47Å	1.46Å
C14	N16	sing	1.35Å	1.35Å
C14	O15	doub	1.22Å	1.23Å
C1	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
N8	H3	sing	0.97Å	1.00Å
N8	H4	sing	0.97Å	1.00Å
N11	H5	sing	0.97Å	1.00Å
N11	H6	sing	0.97Å	1.00Å
N16	H7	sing	0.97Å	1.00Å
N16	H8	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N11	C9	C4	122.1°	120.0°
N11	C9	O10	118.2°	120.0°
C9	N11	H5	120.0°	120.0°
C9	N11	H6	120.0°	120.0°
N6	C5	C4	120.8°	120.9°
C5	N6	C7	123.3°	122.6°
N6	C5	H2	119.6°	119.5°
C5	C4	C9	121.9°	120.5°
C5	C4	C3	118.3°	119.0°
C4	C5	H2	119.6°	119.6°
N6	C7	N8	118.5°	119.5°
N6	C7	C2	120.8°	121.0°
C4	C9	O10	119.7°	120.0°
C9	C4	C3	119.7°	120.5°
C4	C3	C2	120.2°	118.8°
C4	C3	S12	129.8°	131.5°
N8	C7	C2	120.8°	119.5°
C7	N8	H3	109.5°	120.0°
C7	N8	H4	109.5°	120.0°
C7	C2	C3	116.7°	117.8°
C7	C2	C1	130.8°	129.6°
C2	C3	S12	110.0°	109.7°
C3	C2	C1	112.5°	112.6°
C3	S12	C13	91.2°	91.6°
C2	C1	C13	114.8°	115.6°
C2	C1	H1	122.6°	122.2°
C1	C13	S12	111.4°	110.6°
C1	C13	C14	127.9°	124.7°
C13	C1	H1	122.6°	122.3°
S12	C13	C14	120.7°	124.7°
C13	C14	N16	121.2°	120.1°
C13	C14	O15	117.9°	120.0°
N16	C14	O15	120.8°	120.0°
C14	N16	H7	120.0°	120.0°
C14	N16	H8	120.0°	120.0°
H3	N8	H4	109.5°	120.0°
H5	N11	H6	120.0°	120.0°
H7	N16	H8	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N11	C9	C4	C5	20.3°	0.0°
N11	C9	C4	O10	177.5°	179.9°
N11	C9	C4	C3	156.5°	180.0°
C9	N11	H5	H6	180.0°	179.9°
N6	C5	C4	H2	180.0°	180.0°
N6	C5	C4	C9	178.5°	180.0°
N6	C5	C4	C3	1.7°	0.0°
C5	N6	C7	N8	179.5°	179.9°
C5	N6	C7	C2	0.5°	0.0°
C4	C5	N6	C7	0.7°	0.0°
C5	C4	C9	C3	176.8°	180.0°
C5	C4	C9	O10	162.2°	180.0°
C5	C4	C3	C2	1.4°	0.0°
C5	C4	C3	S12	179.4°	180.0°
N6	C7	N8	C2	180.0°	179.9°
N6	C7	C2	C3	0.8°	0.1°
N6	C7	C2	C1	179.0°	180.0°
C7	N6	C5	H2	179.3°	180.0°
N6	C7	N8	H3	0.0°	0.1°
N6	C7	N8	H4	120.0°	180.0°
C9	C4	C3	C2	178.3°	180.0°
C9	C4	C3	S12	2.4°	0.0°
C9	C4	C5	H2	1.5°	0.0°
C4	C9	N11	H5	177.6°	0.1°
C4	C9	N11	H6	2.5°	180.0°
O10	C9	C4	C3	21.0°	0.1°
O10	C9	N11	H5	0.0°	180.0°
O10	C9	N11	H6	180.0°	0.1°
C4	C3	C2	C7	0.2°	0.1°
C4	C3	C2	S12	179.4°	180.0°
C4	C3	C2	C1	180.0°	180.0°
C4	C3	S12	C13	179.3°	180.0°
C3	C4	C5	H2	178.4°	180.0°
N8	C7	C2	C3	179.3°	180.0°
N8	C7	C2	C1	0.9°	0.1°
C7	N8	H3	H4	120.0°	180.0°
C7	C2	C3	C1	179.8°	179.9°
C7	C2	C3	S12	179.6°	179.9°
C7	C2	C1	C13	178.9°	179.9°
C7	C2	C1	H1	1.1°	0.2°
C2	C7	N8	H3	179.9°	180.0°
C2	C7	N8	H4	59.9°	0.1°
C3	C2	C1	C13	0.9°	0.0°
C2	C3	S12	C13	1.4°	0.0°
C3	C2	C1	H1	179.1°	179.7°
S12	C3	C2	C1	0.6°	0.0°
C3	S12	C13	C1	1.9°	0.0°
C3	S12	C13	C14	178.2°	179.8°
C2	C1	C13	H1	180.0°	179.7°
C2	C1	C13	S12	1.9°	0.0°
C2	C1	C13	C14	178.1°	179.8°
C1	C13	S12	C14	179.9°	179.8°
C1	C13	C14	N16	3.1°	180.0°
C1	C13	C14	O15	172.8°	0.1°
S12	C13	C14	N16	176.9°	0.3°
S12	C13	C14	O15	7.2°	179.7°
S12	C13	C1	H1	178.1°	179.7°
C13	C14	N16	O15	175.8°	180.0°
C14	C13	C1	H1	1.9°	0.1°
C13	C14	N16	H7	175.8°	0.0°
C13	C14	N16	H8	4.2°	180.0°
C14	N16	H7	H8	180.0°	180.0°
O15	C14	N16	H7	0.0°	180.0°
O15	C14	N16	H8	180.0°	0.0°

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PDB entries from 2026-01-28

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